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3-((pyrrolidin-1-yl)methyl)cyclobutanamine
3-((pyrrolidin-1-yl)methyl)cyclobutanamine
ID: BP-11843
Supplier:BroadPharm

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SMILES:N1(CC2CC(C2)N)CCCC1	
FORMULA: C9H18N2
MASS: 154.2526
EXACT MASS: 154.1469986
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.1080     0.0000 
   C   3    0.5981     0.6000     0.0000 
   C   4    1.9216     0.8500     1.4500     0.0000 
   C   5    1.4500     0.5981     1.1080     0.5981     0.0000 
   C   6    1.6787     0.6010     1.1096     0.6010     0.8458     0.0000 
   N   7    2.5064     1.4458     2.0458     0.5958     1.1041     1.1057 
   C   8    0.5987     1.6499     1.0687     2.4886     2.0438     2.1765 
   C   9    0.6036     1.3773     1.0687     2.0492     1.4795     1.9780 
   C  10    0.9728     1.9516     1.5520     2.6504     2.0808     2.5517 
   C  11    0.9690     2.0752     1.5497     2.8702     2.3543     2.6468 

              N   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   N   7    0.0000 
   C   8    3.0801     0.0000 
   C   9    2.5835     0.9723     0.0000 
   C  10    3.1844     0.9700     0.6019     0.0000 
   C  11    3.4431     0.5981     0.9706     0.5981     0.0000 



ATOMIC CHARGES
   N   1   -0.2726779245
   C   2    0.0188636605
   C   3    0.0721395104
   C   4    0.0919168012
   C   5    0.0204435346
   C   6    0.0204435346
   N   7   -0.1329144038
   C   8    0.0721381005
   C   9    0.0721381005
   C  10    0.0187545430
   C  11    0.0187545430


BOND ANGLES
   3    1    8   C3   N3   C3    126.485
   3    1    9   C3   N3   C3    125.582
   8    1    9   C3   N3   C3    107.933
   3    2    5   C3   C3   C3    135.285
   3    2    6   C3   C3   C3    135.000
   5    2    6   C3   C3   C3     89.715
   1    3    2   N3   C3   C3    135.285
   6    4    7   C3   C3   N3    135.000
   5    4    6   C3   C3   C3     89.715
   5    4    7   C3   C3   N3    135.285
   2    5    4   C3   C3   C3     90.569
   2    6    4   C3   C3   C3     90.000
   1    8   11   N3   C3   C3    108.121
   1    9   10   N3   C3   C3    107.607
   9   10   11   C3   C3   C3    107.976
   8   11   10   C3   C3   C3    108.364


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


CHIRAL ATOMS
   2    5    4    7    179.974
   2    5    4    7    179.974