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1-[(1R,2S,4S)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-5-en-2-yl]methanamine
1-[(1R,2S,4S)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-5-en-2-yl]methanamine
ID: BP-11171
Supplier:BroadPharm

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SMILES:C12([C@@H]3C=C[C@@H]2C[C@@H]3CN)CC1	
FORMULA: C10H15N
MASS: 149.2328
EXACT MASS: 149.1204495
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.2447     0.0000 
   C   3    1.2543     2.4455     0.0000 
   C   4    1.2500     1.8561     1.2543     0.0000 
   C   5    1.2476     2.0177     1.8539     2.4419     0.0000 
   C   6    2.0180     1.2447     3.2551     3.0017     2.0237     0.0000 
   C   7    2.0193     2.0147     3.0058     3.2523     1.2540     1.2471 
   C   8    1.5718     0.9326     2.8091     2.5864     1.6725     0.4466 
   C   9    1.5718     1.6599     2.5909     2.8047     0.9452     1.1687 
   N  10    3.4706     2.2719     4.7074     4.0483     3.8001     1.8032 
   C  11    2.8099     1.8751     4.0551     3.7151     2.7862     0.8074 
   H  12    2.2239     1.2540     3.1673     2.1232     3.2325     2.2256 
   H  13    2.2249     3.2258     2.1242     3.1643     1.2447     3.2296 

              C   7      C   8      C   9      N  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.1733     0.0000 
   C   9    0.4480     0.9390     0.0000 
   N  10    2.9936     2.1298     2.9716     0.0000 
   C  11    1.8032     1.2482     1.8737     1.2471     0.0000 
   H  12    3.2306     2.0759     2.9042     2.2645     2.5410     0.0000 
   H  13    2.2256     2.9072     2.0793     5.0249     3.9519     4.3945 

              H  13
              -----------
   H  13    0.0000 



ATOMIC CHARGES
   C   1    0.0001615157
   C   2    0.0007511428
   C   3    0.0000239643
   C   4    0.0000239643
   C   5   -0.0005983016
   C   6   -0.0355672790
   C   7   -0.0356120090
   C   8    0.0191425266
   C   9    0.0015766962
   N  10   -0.1313874657
   C  11    0.1092718941
   H  12    0.0361285886
   H  13    0.0360847626


BOND ANGLES
   2    1    3   C3   C3   C3    156.262
   2    1    4   C3   C3   C3     96.148
   2    1    5   C3   C3   C3    108.106
   3    1    4   C3   C3   C3     60.113
   3    1    5   C3   C3   C3     95.633
   4    1    5   C3   C3   C3    155.746
   1    2    6   C3   C3   C2    108.323
   1    2    8   C3   C3   C3     91.276
   1    2   12   C3   C3   HC    125.755
   6    2    8   C2   C3   C3     17.047
   6    2   12   C2   C3   HC    125.922
   8    2   12   C3   C3   HC    142.968
   1    3    4   C3   C3   C3     59.773
   1    4    3   C3   C3   C3     60.113
   1    5    7   C3   C3   C2    107.649
   1    5    9   C3   C3   C3     90.503
   1    5   13   C3   C3   HC    126.429
   7    5    9   C2   C3   C3     17.147
   7    5   13   C2   C3   HC    125.922
   9    5   13   C3   C3   HC    143.069
   2    6    7   C3   C2   C2    107.902
   5    7    6   C3   C2   C2    108.020
   2    8   11   C3   C3   C3    117.863
   2    8    9   C3   C3   C3    124.962
   9    8   11   C3   C3   C3    117.175
   5    9    8   C3   C3   C3    125.154
   8   11   10   C3   C3   N3    117.188


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


CHIRAL ATOMS
   5    7    6    2      0.026
   5    7    6    2      0.026
   5    7    6    2      0.026