
 Dipropyl-5-CT

 46 47  0  0  0  0  0  0  0  0999 V2000
    3.8474   -1.1383    2.5907 C   0  0  0  0  0
    3.9694   -0.7132    1.1336 C   0  0  0  0  0
    4.3447    0.7715    1.0251 C   0  0  0  0  0
    4.5830    1.2485   -0.3488 N   0  0  0  0  0
    3.4704    0.9813   -1.2814 C   0  0  0  0  0
    2.1189    1.6204   -0.9270 C   0  0  0  0  0
    1.0270    1.1817   -1.8919 C   0  0  0  0  0
    4.9694    2.6790   -0.3823 C   0  0  0  0  0
    6.2598    3.0100    0.3910 C   0  0  0  0  0
    6.6986    4.4354    0.2227 C   0  0  0  0  0
    5.9985    5.5602    0.6164 C   0  0  0  0  0
    6.7560    6.6632    0.3315 N   0  0  0  0  0
    7.9521    6.2856   -0.2313 C   0  0  0  0  0
    7.9388    4.8940   -0.3279 C   0  0  0  0  0
    9.0644    4.2459   -0.8802 C   0  0  0  0  0
   10.1567    5.0117   -1.3179 C   0  0  0  0  0
   10.1438    6.4031   -1.1828 C   0  0  0  0  0
    9.0373    7.0670   -0.6434 C   0  0  0  0  0
   11.3617    4.3747   -1.9122 C   0  0  0  0  0
   12.4554    4.9222   -1.8963 O   0  0  0  0  0
   11.1922    3.1633   -2.5245 N   0  0  0  0  0
    3.5869   -2.1990    2.6566 H   0  0  0  0  0
    3.0666   -0.5638    3.0997 H   0  0  0  0  0
    4.7901   -0.9856    3.1261 H   0  0  0  0  0
    3.0130   -0.9145    0.6406 H   0  0  0  0  0
    4.7321   -1.3287    0.6419 H   0  0  0  0  0
    5.2681    0.8910    1.6028 H   0  0  0  0  0
    3.5819    1.3829    1.5222 H   0  0  0  0  0
    3.3473   -0.1027   -1.3912 H   0  0  0  0  0
    3.7670    1.3167   -2.2845 H   0  0  0  0  0
    2.1946    2.7126   -0.9614 H   0  0  0  0  0
    1.8093    1.3462    0.0869 H   0  0  0  0  0
    1.2904    1.4264   -2.9253 H   0  0  0  0  0
    0.0857    1.6864   -1.6513 H   0  0  0  0  0
    0.8576    0.1023   -1.8240 H   0  0  0  0  0
    4.1538    3.3037    0.0027 H   0  0  0  0  0
    5.1264    2.9735   -1.4291 H   0  0  0  0  0
    7.0579    2.3309    0.0692 H   0  0  0  0  0
    6.1163    2.8437    1.4651 H   0  0  0  0  0
    5.0295    5.6673    1.0862 H   0  0  0  0  0
    6.4906    7.6191    0.5248 H   0  0  0  0  0
    9.0823    3.1629   -0.9318 H   0  0  0  0  0
   11.0061    6.9853   -1.5050 H   0  0  0  0  0
    9.0328    8.1477   -0.5444 H   0  0  0  0  0
   10.2829    2.7932   -2.7597 H   0  0  0  0  0
   11.9957    2.7897   -3.0132 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  6 32  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
  9 39  1  0  0  0
 10 14  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
 12 13  1  0  0  0
 12 41  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 42  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 43  1  0  0  0
 18 44  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 45  1  0  0  0
 21 46  1  0  0  0
M  END

>  <Chemical Name>
Dipropyl-5-CT

>  <PubChem CID>
156314

>  <Formula>
C17H25N3O

>  <Molecular Weight>
287.407000

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

>  <XlogP>
2.200

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C17H25N3O/c1-3-8-20(9-4-2)10-7-14-12-19-16-6-5-13(17(18)21)11-15(14)16/h5-6,11-12,19H,3-4,7-10H2,1-2H3,(H2,18,21)

>  <InChI Key>
DPXOFRGRKPFZOD-UHFFFAOYSA-N

