6363
  -OEChem-05221304202D

 13 12  0     0  0  0  0  0  0999 V2000
    2.5369   -0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9590   -0.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5790    0.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  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  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6363

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
10.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAAQAAAACCjBAAQCAABAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
propan-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
2-propanamine

> <PUBCHEM_IUPAC_NAME>
propan-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
propan-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
isopropylamine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
JJWLVOIRVHMVIS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.1

> <PUBCHEM_EXACT_MASS>
59.073499

> <PUBCHEM_MOLECULAR_FORMULA>
C3H9N

> <PUBCHEM_MOLECULAR_WEIGHT>
59.11026

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)N

> <PUBCHEM_CACTVS_TPSA>
26

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
59.073499

> <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

$$$$