
 CHEMBL1178707

 33 32  0  0  0  0  0  0  0  0999 V2000
    1.9818    2.6958   -3.7849 C   0  0  0  0  0
    2.3082    3.9201   -2.9522 C   0  0  0  0  0
    2.8912    3.4911   -1.6364 C   0  0  0  0  0
    4.1550    3.6202   -1.4047 N   0  0  0  0  0
    4.4358    3.1126   -0.1282 O   0  0  0  0  0
    5.8493    3.1432    0.0831 C   0  0  0  0  0
    6.3703    4.5672    0.2814 C   0  0  0  0  0
    5.6324    5.2895    1.4261 C   0  0  0  0  0
    6.2725    6.6005    1.6682 N   0  0  0  0  0
    5.6206    7.3508    2.7537 C   0  0  0  0  0
    5.8849    6.7250    4.1242 C   0  0  0  0  0
    6.1560    8.7849    2.7350 C   0  0  0  0  0
    7.7735    4.5311    0.5816 O   0  0  0  0  0
    1.5567    2.9899   -4.7486 H   0  0  0  0  0
    1.2602    2.0524   -3.2713 H   0  0  0  0  0
    2.8812    2.1001   -3.9730 H   0  0  0  0  0
    1.4008    4.4993   -2.7539 H   0  0  0  0  0
    3.0217    4.5596   -3.4822 H   0  0  0  0  0
    2.2020    3.0368   -0.9018 H   0  0  0  0  0
    6.3669    2.6472   -0.7480 H   0  0  0  0  0
    6.0627    2.5395    0.9732 H   0  0  0  0  0
    6.2478    5.1423   -0.6438 H   0  0  0  0  0
    5.7118    4.6736    2.3276 H   0  0  0  0  0
    4.5734    5.4198    1.1780 H   0  0  0  0  0
    6.2024    7.1474    0.8064 H   0  0  0  0  0
    4.5387    7.3964    2.5782 H   0  0  0  0  0
    6.9580    6.5894    4.3017 H   0  0  0  0  0
    5.3975    5.7501    4.2251 H   0  0  0  0  0
    5.4921    7.3633    4.9234 H   0  0  0  0  0
    7.2401    8.8118    2.8949 H   0  0  0  0  0
    5.6854    9.3838    3.5225 H   0  0  0  0  0
    5.9421    9.2739    1.7780 H   0  0  0  0  0
    7.9411    5.3722    1.0559 H   0  0  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  2 18  1  0  0  0
  3  4  2  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  6 21  1  0  0  0
  7 13  1  0  0  0
  7  8  1  0  0  0
  7 22  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 13 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1178707

>  <PubChem CID>
10103956

>  <Formula>
C9H20N2O2

>  <Molecular Weight>
188.271000

>  <IUPAC Name>
1-(propan-2-ylamino)-3-[(E)-propylideneamino]oxypropan-2-ol

>  <XlogP>
0.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC=NOCC(CNC(C)C)O

>  <Isomeric SMILES>
CC/C=N/OCC(CNC(C)C)O

>  <InChI Std. ID>
InChI=1S/C9H20N2O2/c1-4-5-11-13-7-9(12)6-10-8(2)3/h5,8-10,12H,4,6-7H2,1-3H3/b11-5+

>  <InChI Key>
OSCGPKRHGOYTDV-VZUCSPMQSA-N

