6329
  -OEChem-11232513212D

  7  6  0     0  0  0  0  0  0999 V2000
    2.5369    0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130    0.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0930    1.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6329

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
2

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAFAAQAAAAAAAAAAQCAABAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
methanamine

> <PUBCHEM_IUPAC_CAS_NAME>
methanamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
methanamine

> <PUBCHEM_IUPAC_NAME>
methanamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methanamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
methylamine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CH5N/c1-2/h2H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
BAVYZALUXZFZLV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.7

> <PUBCHEM_EXACT_MASS>
31.042199164

> <PUBCHEM_MOLECULAR_FORMULA>
CH5N

> <PUBCHEM_MOLECULAR_WEIGHT>
31.057

> <PUBCHEM_SMILES>
CN

> <PUBCHEM_CONNECTIVITY_SMILES>
CN

> <PUBCHEM_CACTVS_TPSA>
26

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
31.042199164

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
2

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
