-ISIS-  08091621332D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -0.9375   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -0.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -0.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
  4  5  2  0  0  0  0
M  END
>  <ID> (BBL000280)
BBL000280

>  <Rotatable_Bonds> (BBL000280)
5

>  <logP> (BBL000280)
2.274

>  <PSA> (BBL000280)
25.17

>  <H_Donors> (BBL000280)
1

>  <H_Acceptors> (BBL000280)
1

>  <Number_of_rings> (BBL000280)
1

>  <NAME> (BBL000280)
N-(furan-2-ylmethyl)butan-1-amine

>  <Mol_Weight> (BBL000280)
153.22

>  <Mol_Formula> (BBL000280)
C9H15NO

>  <Smiles> (BBL000280)
CCCCNCc1ccco1

>  <CAS_Number> (BBL000280)
88230-53-9

>  <Alternative_identifier> (BBL000280)
MFCD01924418

$$$$