
 N,N-Di-n-propylserotonin

 43 44  0  0  0  0  0  0  0  0999 V2000
    2.6446    0.9738    2.1199 C   0  0  0  0  0
    2.2576    1.6960    0.8393 C   0  0  0  0  0
    3.0138    1.1927   -0.3994 C   0  0  0  0  0
    4.4853    1.3069   -0.3435 N   0  0  0  0  0
    5.1134    0.5494   -1.4440 C   0  0  0  0  0
    4.8334    1.0584   -2.8668 C   0  0  0  0  0
    5.5411    0.2077   -3.9120 C   0  0  0  0  0
    4.9193    2.7177   -0.2634 C   0  0  0  0  0
    6.4411    2.9478   -0.1655 C   0  0  0  0  0
    6.7630    4.4087   -0.0398 C   0  0  0  0  0
    6.9835    5.2850   -1.0851 C   0  0  0  0  0
    7.2055    6.5301   -0.5642 N   0  0  0  0  0
    7.1363    6.4915    0.8085 C   0  0  0  0  0
    6.8719    5.1690    1.1696 C   0  0  0  0  0
    6.7561    4.8579    2.5397 C   0  0  0  0  0
    6.9054    5.8772    3.4814 C   0  0  0  0  0
    7.1626    7.1894    3.0998 C   0  0  0  0  0
    7.2839    7.5210    1.7471 C   0  0  0  0  0
    6.7858    5.5376    4.7993 O   0  0  0  0  0
    2.0522    1.3566    2.9580 H   0  0  0  0  0
    3.7017    1.1200    2.3619 H   0  0  0  0  0
    2.4523   -0.1009    2.0349 H   0  0  0  0  0
    2.3925    2.7752    0.9688 H   0  0  0  0  0
    1.1841    1.5473    0.6675 H   0  0  0  0  0
    2.6210    1.7284   -1.2723 H   0  0  0  0  0
    2.7440    0.1366   -0.5310 H   0  0  0  0  0
    4.7884   -0.4971   -1.3724 H   0  0  0  0  0
    6.1962    0.5026   -1.2790 H   0  0  0  0  0
    5.1666    2.0956   -2.9805 H   0  0  0  0  0
    3.7587    1.0347   -3.0781 H   0  0  0  0  0
    6.6265    0.2464   -3.7795 H   0  0  0  0  0
    5.3083    0.5745   -4.9167 H   0  0  0  0  0
    5.2215   -0.8373   -3.8507 H   0  0  0  0  0
    4.4856    3.1647    0.6385 H   0  0  0  0  0
    4.5166    3.2886   -1.1100 H   0  0  0  0  0
    6.9511    2.5629   -1.0564 H   0  0  0  0  0
    6.8482    2.4018    0.6944 H   0  0  0  0  0
    6.9894    5.1265   -2.1553 H   0  0  0  0  0
    7.3860    7.3639   -1.1052 H   0  0  0  0  0
    6.5526    3.8425    2.8644 H   0  0  0  0  0
    7.2733    7.9738    3.8422 H   0  0  0  0  0
    7.4832    8.5427    1.4405 H   0  0  0  0  0
    6.9062    6.3376    5.3362 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  8 35  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
 10 14  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 40  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 41  1  0  0  0
 18 42  1  0  0  0
 19 43  1  0  0  0
M  END

>  <Chemical Name>
N,N-Di-n-propylserotonin

>  <PubChem CID>
169764

>  <Formula>
C16H24N2O

>  <Molecular Weight>
260.381000

>  <IUPAC Name>
3-[2-(dipropylamino)ethyl]-1H-indol-5-ol

>  <XlogP>
3.000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCN(CCC)CCC1=CNC2=C1C=C(C=C2)O

>  <Isomeric SMILES>
CCCN(CCC)CCC1=CNC2=C1C=C(C=C2)O

>  <InChI Std. ID>
InChI=1S/C16H24N2O/c1-3-8-18(9-4-2)10-7-13-12-17-16-6-5-14(19)11-15(13)16/h5-6,11-12,17,19H,3-4,7-10H2,1-2H3

>  <InChI Key>
CWMOGUBWVJQDSL-UHFFFAOYSA-N

