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2-Benzyl-2,6-diaza-spiro[3.5]nonane
2-Benzyl-2,6-diaza-spiro[3.5]nonane
ID: BP-11700
CAS:1206969-43-8
Supplier:BroadPharm

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SMILES:C(=O)(N1CC2(CN(C2)Cc2ccccc2)CCC1)OC(C)(C)C	
FORMULA: C19H28N2O2
MASS: 316.4378
EXACT MASS: 316.2150781
INTERATOMIC DISTANCES

              C   1      C   2      N   3      N   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.6373     0.0000 
   N   3    0.5975     1.0398     0.0000 
   N   4    2.4099     0.8476     1.8245     0.0000 
   C   5    1.1579     0.6000     0.6010     1.2604     0.0000 
   O   6    0.6010     2.0063     1.0375     2.6748     1.4353     0.0000 
   C   7    1.8852     0.5994     1.3290     0.5994     0.7309     2.0953 
   C   8    2.2213     0.5994     1.6259     0.5994     1.1892     2.6056 
   O   9    0.5958     2.0034     1.0341     2.8310     1.6352     1.0362 
   C  10    2.9820     1.4487     2.4065     0.6010     1.8245     3.1999 
   C  11    1.0416     2.5917     1.5869     3.2755     2.0315     0.6010 
   C  12    1.7427     0.6010     1.2000     1.2604     1.0398     2.2375 
   C  13    0.8460     1.2021     0.6010     2.0497     1.0416     1.4353 
   C  14    3.1794     1.8212     2.6472     1.0375     2.0461     3.2914 
   C  15    1.4338     1.0416     1.0398     1.8252     1.2021     2.0063 
   C  16    1.5910     3.0244     2.0792     3.6279     2.4355     1.0417 
   C  17    1.2000     2.8373     1.7974     3.5967     2.3367     1.0362 
   C  18    1.2021     2.4682     1.5869     3.0371     1.8714     0.6010 
   C  19    3.7782     2.4036     3.2482     1.5869     2.6472     3.8729 
   C  20    2.8738     1.7795     2.4036     1.1985     1.8212     2.8911 
   C  21    3.2518     2.3404     2.8444     1.7995     2.2951     3.1700 
   C  22    4.0698     2.8404     3.5832     2.0750     2.9896     4.0823 
   C  23    3.8357     2.8138     3.4072     2.1600     2.8404     3.7670 

              C   7      C   8      O   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8476     0.0000 
   O   9    2.3616     2.5399     0.0000 
   C  10    1.1084     1.1096     3.4235     0.0000 
   C  11    2.6961     3.1901     1.2000     3.7999     0.0000 
   C  12    1.1901     0.7305     1.9364     1.8252     2.7746     0.0000 
   C  13    1.6810     1.6794     0.8987     2.6507     1.8714     1.0398 
   C  14    1.3250     1.6240     3.6813     0.5975     3.8769     2.2951 
   C  15    1.6281     1.3287     1.4655     2.4076     2.4682     0.6010 
   C  16    3.0316     3.6219     1.8011     4.1075     0.6011     3.2792 
   C  17    3.0483     3.4196     1.0416     4.1553     0.5958     2.9001 
   C  18    2.4390     3.0606     1.5858     3.5084     0.6000     2.7746 
   C  19    1.9250     2.1425     4.2823     1.0375     4.4521     2.8444 
   C  20    1.1919     1.7840     3.4208     1.0378     3.4540     2.3404 
   C  21    1.7423     2.3833     3.8260     1.5863     3.6907     2.9173 
   C  22    2.3032     2.6587     4.6090     1.5829     4.6351     3.3315 
   C  23    2.2293     2.7593     4.4037     1.7960     4.2877     3.3629 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    2.9935     0.0000 
   C  15    0.6000     2.8444     0.0000 
   C  16    2.4355     4.1037     3.0244     0.0000 
   C  17    1.8958     4.2981     2.4867     1.0362     0.0000 
   C  18    2.0315     3.5043     2.5917     0.6011     1.1958     0.0000 
   C  19    3.5870     0.6010     3.4112     4.6509     4.8872     4.0554 
   C  20    2.8444     0.6000     2.8179     3.6215     3.9209     3.0299 
   C  21    3.3356     1.0398     3.3670     3.7658     4.2053     3.2010 
   C  22    3.9841     1.0375     3.8734     4.7615     5.1151     4.1820 
   C  23    3.8734     1.1985     3.8540     4.3528     4.8025     3.7934 

              C  19      C  20      C  21      C  22      C  23
              -------------------------------------------------------
   C  19    0.0000 
   C  20    1.0398     0.0000 
   C  21    1.2000     0.6010     0.0000 
   C  22    0.5975     1.1985     1.0378     0.0000 
   C  23    1.0378     1.0375     0.5975     0.6000     0.0000 



ATOMIC CHARGES
   C   1    0.4046433680
   C   2    0.0479081617
   N   3   -0.2459323409
   N   4   -0.2687617928
   C   5    0.0993040883
   O   6   -0.4417880799
   C   7    0.0752897378
   C   8    0.0752897378
   O   9   -0.2261970601
   C  10    0.0991486545
   C  11    0.1378299069
   C  12    0.0061036663
   C  13    0.0967255042
   C  14   -0.0061415878
   C  15    0.0217649807
   C  16    0.0437415187
   C  17    0.0437415187
   C  18    0.0437415187
   C  19   -0.0029175369
   C  20   -0.0029175369
   C  21   -0.0002787537
   C  22   -0.0002787537
   C  23   -0.0000189196


BOND ANGLES
   3    1    6  Nam   C2   O3    119.917
   3    1    9  Nam   C2   O2    120.140
   6    1    9   O3   C2   O2    119.944
   5    2    7   C3   C3   C3     75.092
   5    2    8   C3   C3   C3    165.092
   5    2   12   C3   C3   C3    119.944
   7    2    8   C3   C3   C3     90.000
   7    2   12   C3   C3   C3    164.964
   8    2   12   C3   C3   C3     74.964
   1    3    5   C2  Nam   C3    150.083
   1    3   13   C2  Nam   C3     89.804
   5    3   13   C3  Nam   C3    120.113
   8    4   10   C3   N3   C3    135.148
   7    4    8   C3   N3   C3     90.000
   7    4   10   C3   N3   C3    134.852
   2    5    3   C3   C3  Nam    119.944
   1    6   11   C2   O3   C3    120.113
   2    7    4   C3   C3   N3     90.000
   2    8    4   C3   C3   N3     90.000
   4   10   14   N3   C3  Car    119.917
   6   11   16   O3   C3   C3    120.118
   6   11   17   O3   C3   C3    119.944
   6   11   18   O3   C3   C3     60.056
  16   11   17   C3   C3   C3    119.939
  16   11   18   C3   C3   C3     60.061
  17   11   18   C3   C3   C3    179.974
   2   12   15   C3   C3   C3    120.113
   3   13   15  Nam   C3   C3    119.944
  10   14   19   C3  Car  Car    119.917
  10   14   20   C3  Car  Car    120.140
  19   14   20  Car  Car  Car    119.944
  12   15   13   C3   C3   C3    119.944
  14   19   22  Car  Car  Car    119.917
  14   20   21  Car  Car  Car    119.944
  20   21   23  Car  Car  Car    119.917
  19   22   23  Car  Car  Car    120.140
  21   23   22  Car  Car  Car    120.140


TORSION ANGLES
   7    2    5    3    179.974
   8    2    5    3    179.974
  12    2    5    3      0.026
   5    3    1    6      0.026
   5    3    1    9    179.974
  13    3    1    6    179.974
  13    3    1    9      0.026
  10    4    8    2    179.974
   7    4    8    2      0.026
   2    5    3    1    179.974
   2    5    3   13      0.026
  11    6    1    3    179.974
  11    6    1    9      0.026
   4    7    2    5    179.974
   4    7    2    8      0.026
   4    7    2   12      0.026
   4    8    2    5      0.026
   4    8    2    7      0.026
   4    8    2   12    179.974
  14   10    4    8    179.974
  14   10    4    7      0.026
  16   11    6    1    179.974
  17   11    6    1      0.026
  18   11    6    1    179.974
  15   12    2    5      0.026
  15   12    2    7    179.974
  15   12    2    8    179.974
  15   13    3    1    179.974
  15   13    3    5      0.026
  19   14   10    4    179.974
  20   14   10    4      0.026
  12   15   13    3      0.026
  22   19   14   10    179.974
  22   19   14   20      0.026
  21   20   14   10    179.974
  21   20   14   19      0.026
  23   21   20   14      0.026
  23   22   19   14      0.026
  21   23   22   19      0.026
  13   15   12    2      0.026
   8    4    7    2      0.026
  10    4    7    2    179.974
  22   23   21   20      0.026