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cyclopentyl(quinolin-2-yl)methanamine
cyclopentyl(quinolin-2-yl)methanamine
ID: BP-11621
Supplier:BroadPharm

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SMILES:n1c(C(C2CCCC2)N)ccc2c1cccc2	
FORMULA: C15H18N2
MASS: 226.3168
EXACT MASS: 226.1469986
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.5975     0.0000 
   C   3    0.6010     1.0375     0.0000 
   C   4    1.0375     0.5989     1.5861     0.0000 
   C   5    1.0378     0.6000     1.1985     1.0362     0.0000 
   C   6    1.0398     1.1985     0.6000     1.7974     1.0375     0.0000 
   C   7    1.2000     1.0378     1.0398     1.5831     0.5975     0.6010 
   C   8    1.5837     1.0375     2.0750     0.5975     1.1964     2.1588 
   N   9    1.1964     1.0362     1.7974     0.6000     1.5839     2.1600 
   C  10    1.0416     1.5869     0.6010     2.0791     1.7995     1.0398 
   C  11    1.8503     1.2530     2.2201     1.0667     1.1000     2.1375 
   C  12    2.1050     1.6058     2.6361     1.0681     1.7968     2.7566 
   C  13    1.5890     1.7995     1.0398     2.3985     1.5869     0.6010 
   C  14    1.5869     2.0750     1.0375     2.6126     2.1600     1.1985 
   C  15    2.5545     1.9980     3.0319     1.5496     2.0265     3.0508 
   C  16    2.4309     1.8366     2.8198     1.5502     1.6921     2.7279 
   C  17    1.7995     2.1600     1.1985     2.7460     2.0750     1.0375 

              C   7      C   8      N   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7939     0.0000 
   N   9    2.0740     1.0378     0.0000 
   C  10    1.5890     2.6136     2.1628     0.0000 
   C  11    1.6443     0.5991     1.6040     2.8065     0.0000 
   C  12    2.3939     0.6024     1.2513     3.1463     0.9726     0.0000 
   C  13    1.0416     2.7460     2.7473     1.2000     2.6752     3.3465 
   C  14    1.7995     3.1125     2.7460     0.5975     3.2312     3.6705 
   C  15    2.5991     0.9708     1.8334     3.5815     0.9718     0.5989 
   C  16    2.2111     0.9706     1.9970     3.4038     0.6007     0.9718 
   C  17    1.5869     3.1690     2.9959     1.0378     3.1750     3.7580 

              C  13      C  14      C  15      C  16      C  17
              -------------------------------------------------------
   C  13    0.0000 
   C  14    1.0378     0.0000 
   C  15    3.6134     4.0676     0.0000 
   C  16    3.2505     3.8317     0.6010     0.0000 
   C  17    0.5975     0.6000     4.0817     3.7646     0.0000 



ATOMIC CHARGES
   N   1   -0.2482382895
   C   2    0.0763126645
   C   3    0.0809332115
   C   4    0.1315304730
   C   5    0.0161811474
   C   6    0.0176774601
   C   7    0.0027510986
   C   8    0.0233373027
   N   9   -0.1264805658
   C  10    0.0190850218
   C  11    0.0018270535
   C  12    0.0018270535
   C  13    0.0014967056
   C  14    0.0015444566
   C  15    0.0000586874
   C  16    0.0000586874
   C  17    0.0000978316


BOND ANGLES
   2    1    3  Car  Nar  Car    119.917
   1    2    4  Nar  Car   C3    120.265
   1    2    5  Nar  Car  Car    120.140
   4    2    5   C3  Car  Car    119.595
   1    3    6  Nar  Car  Car    119.944
   1    3   10  Nar  Car  Car    120.113
   6    3   10  Car  Car  Car    119.944
   2    4    8  Car   C3   C3    120.265
   2    4    9  Car   C3   N3    119.595
   8    4    9   C3   C3   N3    120.140
   2    5    7  Car  Car  Car    120.140
   3    6   13  Car  Car  Car    119.944
   3    6    7  Car  Car  Car    119.944
   7    6   13  Car  Car  Car    120.113
   5    7    6  Car  Car  Car    119.917
   4    8   11   C3   C3   C3    126.128
   4    8   12   C3   C3   C3    125.780
  11    8   12   C3   C3   C3    108.092
   3   10   14  Car  Car  Car    119.917
   8   11   16   C3   C3   C3    108.000
   8   12   15   C3   C3   C3    107.820
   6   13   17  Car  Car  Car    119.917
  10   14   17  Car  Car  Car    120.140
  12   15   16   C3   C3   C3    108.156
  11   16   15   C3   C3   C3    107.932
  13   17   14  Car  Car  Car    120.140


TORSION ANGLES
   4    2    1    3    179.974
   5    2    1    3      0.026
   6    3    1    2      0.026
  10    3    1    2    179.974
   8    4    2    1    179.974
   8    4    2    5      0.026
   9    4    2    1      0.026
   9    4    2    5    179.974
   7    5    2    1      0.026
   7    5    2    4    179.974
  13    6    3    1    179.974
  13    6    3   10      0.026
   7    6    3    1      0.026
   7    6    3   10    179.974
   6    7    5    2      0.026
  11    8    4    2      0.026
  11    8    4    9    179.974
  12    8    4    2    179.974
  12    8    4    9      0.026
  14   10    3    1    179.974
  14   10    3    6      0.026
  16   11    8    4    179.974
  16   11    8   12      0.026
  15   12    8    4    179.974
  15   12    8   11      0.026
  17   13    6    3      0.026
  17   13    6    7    179.974
  17   14   10    3      0.026
  16   15   12    8      0.026
  15   16   11    8      0.026
  14   17   13    6      0.026
   3    6    7    5      0.026
  13    6    7    5    179.974
  10   14   17   13      0.026
  11   16   15   12      0.026


CHIRAL ATOMS
  11   16   15   12      0.026