-ISIS-  08091621332D

 20 23  0  0  0  0  0  0  0  0999 V2000
    1.5458   -1.2542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7833   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3833   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5333   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2833   -1.3542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3958   -0.0042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7333   -1.8042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3458   -0.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1583   -1.2542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.2875    1.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6333   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7333   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2458   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7875    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
 10 16  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  6  1  0  0  0  0
 14 15  1  0  0  0  0
 15  8  1  0  0  0  0
 16 14  2  0  0  0  0
 17 20  1  0  0  0  0
 18 14  1  0  0  0  0
 19  9  1  0  0  0  0
 20 18  2  0  0  0  0
  5 13  1  0  0  0  0
 12  7  1  0  0  0  0
 11  7  1  0  0  0  0
 17 10  2  0  0  0  0
M  END
>  <ID> (BBL000782)
BBL000782

>  <SALTDATA> (BBL000782)
HCI

>  <Rotatable_Bonds> (BBL000782)
3

>  <logP> (BBL000782)
3.788

>  <PSA> (BBL000782)
24.92

>  <H_Donors> (BBL000782)
1

>  <H_Acceptors> (BBL000782)
0

>  <Number_of_rings> (BBL000782)
5

>  <NAME> (BBL000782)
N-(pyridin-3-ylmethyl)-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanamine

>  <Mol_Weight> (BBL000782)
270.42

>  <Mol_Formula> (BBL000782)
C18H26N2

>  <Smiles> (BBL000782)
CC(C12CC3CC(C2)CC(C1)C3)NCc1cccnc1

$$$$