-ISIS-  08091621332D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.8250    0.1542    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5500   -1.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    1.0167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8792   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1667    0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8417   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5458    2.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2917   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6042   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3167   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -0.7042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  9 13  2  0  0  0  0
 10  3  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  2  0  0  0  0
 13 12  1  0  0  0  0
 14  1  1  0  0  0  0
  9  2  1  0  0  0  0
M  END
>  <ID> (BBL000134)
BBL000134

>  <SALTDATA> (BBL000134)
HCl

>  <Rotatable_Bonds> (BBL000134)
5

>  <logP> (BBL000134)
0.324

>  <PSA> (BBL000134)
45.15

>  <H_Donors> (BBL000134)
2

>  <H_Acceptors> (BBL000134)
1

>  <Number_of_rings> (BBL000134)
1

>  <NAME> (BBL000134)
2-methyl-2-[(pyridin-3-ylmethyl)amino]propan-1-ol

>  <Mol_Weight> (BBL000134)
180.25

>  <Mol_Formula> (BBL000134)
C10H16N2O

>  <Smiles> (BBL000134)
OCC(NCc1cccnc1)(C)C

>  <CAS_Number> (BBL000134)
893615-23-1

>  <Alternative_identifier> (BBL000134)
MFCD04573186

$$$$