-ISIS-  08091621332D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -3.0292   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0292    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1667   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8958    0.9958    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -3.8917   -0.5042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2917   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1667    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4333    0.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2917    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1708    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0333    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2958    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8833   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7583   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8917   -1.5042    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 11  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  2  0  0  0  0
  8 13  1  0  0  0  0
  9  6  2  0  0  0  0
 10 12  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14  4  1  0  0  0  0
 15  4  1  0  0  0  0
 16  5  1  0  0  0  0
 17  5  1  0  0  0  0
  9  7  1  0  0  0  0
M  END
>  <ID> (BBL000184)
BBL000184

>  <SALTDATA> (BBL000184)
2HCl

>  <Rotatable_Bonds> (BBL000184)
4

>  <logP> (BBL000184)
3.229

>  <PSA> (BBL000184)
15.27

>  <H_Donors> (BBL000184)
1

>  <H_Acceptors> (BBL000184)
0

>  <Number_of_rings> (BBL000184)
1

>  <NAME> (BBL000184)
N,N-dimethyl-N'-[4-(propan-2-yl)benzyl]propane-1,3-diamine

>  <Mol_Weight> (BBL000184)
234.38

>  <Mol_Formula> (BBL000184)
C15H26N2

>  <Smiles> (BBL000184)
CN(CCCNCc1ccc(cc1)C(C)C)C

>  <Alternative_identifier> (BBL000184)
MFCD02127680

$$$$