
 tryptamine

 24 25  0  0  0  0  0  0  0  0999 V2000
    2.3451   -0.3035    0.1990 C   0  0  0  0  0
    2.2514    1.0851    0.1470 C   0  0  0  0  0
    1.0091    1.7201    0.0557 C   0  0  0  0  0
   -0.1320    0.9107    0.0176 C   0  0  0  0  0
   -0.0732   -0.4824    0.0676 C   0  0  0  0  0
    1.1927   -1.0976    0.1612 C   0  0  0  0  0
   -1.4178   -0.9726    0.0069 C   0  0  0  0  0
   -2.2426    0.1328   -0.0789 C   0  0  0  0  0
   -1.4596    1.2553   -0.0718 N   0  0  0  0  0
   -1.8525   -2.4052    0.0319 C   0  0  0  0  0
   -2.0633   -2.9190    1.4606 C   0  0  0  0  0
   -2.5146   -4.3123    1.4717 N   0  0  0  0  0
    3.3200   -0.7775    0.2685 H   0  0  0  0  0
    3.1581    1.6856    0.1769 H   0  0  0  0  0
    0.9403    2.8021    0.0147 H   0  0  0  0  0
    1.2769   -2.1794    0.2015 H   0  0  0  0  0
   -3.3193    0.2135   -0.1459 H   0  0  0  0  0
   -1.8014    2.2050   -0.1263 H   0  0  0  0  0
   -1.1062   -3.0242   -0.4814 H   0  0  0  0  0
   -2.7846   -2.5069   -0.5402 H   0  0  0  0  0
   -2.8041   -2.3005    1.9806 H   0  0  0  0  0
   -1.1279   -2.8474    2.0280 H   0  0  0  0  0
   -3.4167   -4.3797    1.0019 H   0  0  0  0  0
   -2.6750   -4.6007    2.4360 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 13  1  0  0  0
  2  3  1  0  0  0
  2 14  1  0  0  0
  3  4  2  0  0  0
  3 15  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 16  1  0  0  0
  7  8  2  0  0  0
  7 10  1  0  0  0
  8  9  1  0  0  0
  8 17  1  0  0  0
  9 18  1  0  0  0
 10 11  1  0  0  0
 10 19  1  0  0  0
 10 20  1  0  0  0
 11 12  1  0  0  0
 11 21  1  0  0  0
 11 22  1  0  0  0
 12 23  1  0  0  0
 12 24  1  0  0  0
M  END

>  <Chemical Name>
tryptamine

>  <PubChem CID>
1150

>  <Formula>
C10H12N2

>  <Molecular Weight>
160.220000

>  <IUPAC Name>
2-(1H-indol-3-yl)ethanamine

>  <XlogP>
1.600

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1=CC=C2C(=C1)C(=CN2)CCN

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C(=CN2)CCN

>  <InChI Std. ID>
InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2

>  <InChI Key>
APJYDQYYACXCRM-UHFFFAOYSA-N

