
 N,N-DIMETHYLTRYPTAMINE

 30 31  0  0  0  0  0  0  0  0999 V2000
    1.0939   -0.1627   -0.1050 C   0  0  0  0  0
    2.5582   -0.0973   -0.1319 N   0  0  0  0  0
    3.0617   -0.8390   -1.2901 C   0  0  0  0  0
    2.9947    1.3160   -0.1510 C   0  0  0  0  0
    4.5105    1.5030    0.0348 C   0  0  0  0  0
    4.9030    2.9501    0.0590 C   0  0  0  0  0
    5.0719    3.7364    1.1822 C   0  0  0  0  0
    5.4431    4.9900    0.7783 N   0  0  0  0  0
    5.5220    5.0458   -0.5934 C   0  0  0  0  0
    5.8663    6.1101   -1.4350 C   0  0  0  0  0
    5.8633    5.8742   -2.8130 C   0  0  0  0  0
    5.5272    4.6233   -3.3255 C   0  0  0  0  0
    5.1865    3.5702   -2.4692 C   0  0  0  0  0
    5.1844    3.7803   -1.0744 C   0  0  0  0  0
    0.7013    0.3365    0.7874 H   0  0  0  0  0
    0.7559   -1.2036   -0.0521 H   0  0  0  0  0
    0.6431    0.3022   -0.9892 H   0  0  0  0  0
    2.6763   -1.8649   -1.2880 H   0  0  0  0  0
    4.1515   -0.9301   -1.2584 H   0  0  0  0  0
    2.7771   -0.3689   -2.2379 H   0  0  0  0  0
    2.4953    1.8463    0.6726 H   0  0  0  0  0
    2.6647    1.8061   -1.0780 H   0  0  0  0  0
    5.0644    1.0115   -0.7722 H   0  0  0  0  0
    4.8283    1.0246    0.9696 H   0  0  0  0  0
    4.9629    3.5057    2.2336 H   0  0  0  0  0
    5.6377    5.7669    1.3947 H   0  0  0  0  0
    6.1296    7.0852   -1.0391 H   0  0  0  0  0
    6.1285    6.6795   -3.4938 H   0  0  0  0  0
    5.5315    4.4609   -4.4004 H   0  0  0  0  0
    4.9292    2.5985   -2.8797 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6 14  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 27  1  0  0  0
 11 12  2  0  0  0
 11 28  1  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 13 14  2  0  0  0
 13 30  1  0  0  0
M  END

>  <Chemical Name>
N,N-DIMETHYLTRYPTAMINE

>  <PubChem CID>
6089

>  <Formula>
C12H16N2

>  <Molecular Weight>
188.274000

>  <IUPAC Name>
2-(1H-indol-3-yl)-N,N-dimethylethanamine

>  <XlogP>
2.500

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CN(C)CCC1=CNC2=CC=CC=C21

>  <Isomeric SMILES>
CN(C)CCC1=CNC2=CC=CC=C21

>  <InChI Std. ID>
InChI=1S/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3

>  <InChI Key>
DMULVCHRPCFFGV-UHFFFAOYSA-N

