69828
  -OEChem-11232513052D

 11 11  0     0  0  0  0  0  0999 V2000
    3.8660    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0265    0.5989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2121   -1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2121    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760   -0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  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
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69828

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
22.5

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBCAAAAAAAAAAAAAAAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAHAAQAAAACCjBAAQAAABAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
cyclopropanamine

> <PUBCHEM_IUPAC_CAS_NAME>
cyclopropanamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
cyclopropanamine

> <PUBCHEM_IUPAC_NAME>
cyclopropanamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cyclopropanamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cyclopropylamine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2

> <PUBCHEM_IUPAC_INCHIKEY>
HTJDQJBWANPRPF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
0.1

> <PUBCHEM_EXACT_MASS>
57.057849228

> <PUBCHEM_MOLECULAR_FORMULA>
C3H7N

> <PUBCHEM_MOLECULAR_WEIGHT>
57.09

> <PUBCHEM_SMILES>
C1CC1N

> <PUBCHEM_CONNECTIVITY_SMILES>
C1CC1N

> <PUBCHEM_CACTVS_TPSA>
26

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
57.057849228

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
4

> <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

$$$$
