
 CHEMBL95230

 44 45  0  0  0  0  0  0  0  0999 V2000
    3.8079   -0.4099   -3.4632 C   0  0  0  0  0
    3.7761   -0.1150   -1.9686 C   0  0  0  0  0
    4.4372    1.2388   -1.6640 C   0  0  0  0  0
    4.3822    1.6672   -0.2463 N   0  0  0  0  0
    5.0618    0.6913    0.6335 C   0  0  0  0  0
    5.0168    0.9736    2.1444 C   0  0  0  0  0
    3.6026    1.0847    2.6948 C   0  0  0  0  0
    4.8786    3.0634   -0.0504 C   0  0  0  0  0
    3.9911    4.1088   -0.7627 C   0  0  0  0  0
    4.3995    5.5201   -0.3415 C   0  0  0  0  0
    5.8257    5.7455   -0.5256 N   0  0  0  0  0
    6.7506    4.7296   -0.5492 C   0  0  0  0  0
    7.9835    5.2939   -0.8057 C   0  0  0  0  0
    7.7967    6.6902   -0.9060 C   0  0  0  0  0
    6.4541    6.9566   -0.7016 C   0  0  0  0  0
    5.7509    8.2635   -0.6697 C   0  0  0  0  0
    5.1371    8.4326   -1.9368 O   0  0  0  0  0
    6.3763    3.2888   -0.3890 C   0  0  0  0  0
    3.3557   -1.3865   -3.6678 H   0  0  0  0  0
    4.8369   -0.4297   -3.8357 H   0  0  0  0  0
    3.2530    0.3471   -4.0272 H   0  0  0  0  0
    4.3004   -0.9314   -1.4614 H   0  0  0  0  0
    2.7372   -0.1154   -1.6183 H   0  0  0  0  0
    3.9182    1.9755   -2.2854 H   0  0  0  0  0
    5.4740    1.1951   -2.0169 H   0  0  0  0  0
    6.1102    0.5725    0.3306 H   0  0  0  0  0
    4.5909   -0.2902    0.5113 H   0  0  0  0  0
    5.5867    1.8740    2.3951 H   0  0  0  0  0
    5.5220    0.1470    2.6589 H   0  0  0  0  0
    3.0651    1.9334    2.2608 H   0  0  0  0  0
    3.6331    1.2280    3.7800 H   0  0  0  0  0
    3.0301    0.1736    2.4913 H   0  0  0  0  0
    4.7535    3.3024    1.0131 H   0  0  0  0  0
    2.9346    3.9504   -0.5132 H   0  0  0  0  0
    4.0892    4.0305   -1.8520 H   0  0  0  0  0
    4.1900    5.6933    0.7206 H   0  0  0  0  0
    3.8500    6.2570   -0.9352 H   0  0  0  0  0
    8.9144    4.7557   -0.9159 H   0  0  0  0  0
    8.5646    7.4297   -1.0995 H   0  0  0  0  0
    6.4479    9.0906   -0.5008 H   0  0  0  0  0
    4.9824    8.2990    0.1077 H   0  0  0  0  0
    5.8357    8.2824   -2.5983 H   0  0  0  0  0
    6.6498    2.7880   -1.3212 H   0  0  0  0  0
    6.9976    2.8472    0.4017 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 18  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 15  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 18  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 14 15  2  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 16 41  1  0  0  0
 17 42  1  0  0  0
 18 43  1  0  0  0
 18 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL95230

>  <PubChem CID>
44329283

>  <Formula>
C15H26N2O

>  <Molecular Weight>
250.386000

>  <IUPAC Name>
[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]methanol

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCN(CCC)C1CCN2C(=CC=C2CO)C1

>  <Isomeric SMILES>
CCCN(CCC)[C@H]1CCN2C(=CC=C2CO)C1

>  <InChI Std. ID>
InChI=1S/C15H26N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,13,18H,3-4,7-12H2,1-2H3/t13-/m0/s1

>  <InChI Key>
FFZALGRQJRVCKO-ZDUSSCGKSA-N

