
 1-Methylhistamine

 20 20  0  0  0  0  0  0  0  0999 V2000
    0.7682   -0.1112    0.0395 C   0  0  0  0  0
    2.2068   -0.0909   -0.0127 N   0  0  0  0  0
    3.0106    1.0060    0.0975 C   0  0  0  0  0
    4.2978    0.5216   -0.0228 C   0  0  0  0  0
    4.2772   -0.8434   -0.2035 N   0  0  0  0  0
    3.0071   -1.1807   -0.1901 C   0  0  0  0  0
    5.5868    1.2672    0.0084 C   0  0  0  0  0
    6.4780    0.8299    1.1739 C   0  0  0  0  0
    7.7408    1.5779    1.1996 N   0  0  0  0  0
    0.3880    0.9134    0.0625 H   0  0  0  0  0
    0.4635   -0.6436    0.9441 H   0  0  0  0  0
    0.3939   -0.6240   -0.8506 H   0  0  0  0  0
    2.6263    2.0055    0.2427 H   0  0  0  0  0
    2.6212   -2.1852   -0.3051 H   0  0  0  0  0
    5.3869    2.3442    0.0795 H   0  0  0  0  0
    6.1083    1.1039   -0.9438 H   0  0  0  0  0
    6.7020   -0.2405    1.1031 H   0  0  0  0  0
    5.9569    0.9894    2.1242 H   0  0  0  0  0
    8.2623    1.3743    0.3465 H   0  0  0  0  0
    8.3131    1.2229    1.9657 H   0  0  0  0  0
  1  2  1  0  0  0
  1 10  1  0  0  0
  1 11  1  0  0  0
  1 12  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  4  2  0  0  0
  3 13  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  6 14  1  0  0  0
  7  8  1  0  0  0
  7 15  1  0  0  0
  7 16  1  0  0  0
  8  9  1  0  0  0
  8 17  1  0  0  0
  8 18  1  0  0  0
  9 19  1  0  0  0
  9 20  1  0  0  0
M  END

>  <Chemical Name>
1-Methylhistamine

>  <PubChem CID>
3614

>  <Formula>
C6H11N3

>  <Molecular Weight>
125.175000

>  <IUPAC Name>
2-(1-methylimidazol-4-yl)ethanamine

>  <XlogP>
-0.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1C=C(N=C1)CCN

>  <Isomeric SMILES>
CN1C=C(N=C1)CCN

>  <InChI Std. ID>
InChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3

>  <InChI Key>
FHQDWPCFSJMNCT-UHFFFAOYSA-N

