-ISIS-  08091621332D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -2.4583    1.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -0.2917    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.4542    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -0.2917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1958    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -1.1542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8  6  2  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13  2  1  0  0  0  0
  8  4  1  0  0  0  0
M  END
>  <ID> (BBL000054)
BBL000054

>  <Rotatable_Bonds> (BBL000054)
3

>  <logP> (BBL000054)
1.437

>  <PSA> (BBL000054)
24.92

>  <H_Donors> (BBL000054)
1

>  <H_Acceptors> (BBL000054)
0

>  <Number_of_rings> (BBL000054)
1

>  <NAME> (BBL000054)
N-(pyridin-4-ylmethyl)butan-2-amine

>  <Mol_Weight> (BBL000054)
164.25

>  <Mol_Formula> (BBL000054)
C10H16N2

>  <Smiles> (BBL000054)
CCC(NCc1ccncc1)C

>  <CAS_Number> (BBL000054)
869941-69-5

>  <Alternative_identifier> (BBL000054)
MFCD04488522

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