-ISIS-  08091621332D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -0.4500   -1.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -0.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    0.5833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7208   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    2.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12  8  2  0  0  0  0
 13 12  1  0  0  0  0
 13 11  2  0  0  0  0
M  END
>  <ID> (BBL000289)
BBL000289

>  <Rotatable_Bonds> (BBL000289)
5

>  <logP> (BBL000289)
0.324

>  <PSA> (BBL000289)
45.15

>  <H_Donors> (BBL000289)
2

>  <H_Acceptors> (BBL000289)
1

>  <Number_of_rings> (BBL000289)
1

>  <NAME> (BBL000289)
2-methyl-2-[(pyridin-2-ylmethyl)amino]propan-1-ol

>  <Mol_Weight> (BBL000289)
180.25

>  <Mol_Formula> (BBL000289)
C10H16N2O

>  <Smiles> (BBL000289)
OCC(NCc1ccccn1)(C)C

>  <CAS_Number> (BBL000289)
892591-92-3

>  <Alternative_identifier> (BBL000289)
MFCD07411565

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