11807
  -OEChem-04242418172D

 17 16  0     0  0  0  0  0  0999 V2000
    5.1350    0.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.3730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -0.7390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.1019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    1.1019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4399    1.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5930    1.5300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.0490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2130   -1.2760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4399   -0.4290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11807

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
42.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAADIihgAICAABAAgAAAAAAAAAAAAAAAAAAAAAAAAACEAAAAAAAQAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-amino-2-methyl-propan-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
2-amino-2-methyl-1-propanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-amino-2-methylpropan-1-ol

> <PUBCHEM_IUPAC_NAME>
2-amino-2-methylpropan-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-azanyl-2-methyl-propan-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-amino-2-methyl-propan-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
CBTVGIZVANVGBH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.8

> <PUBCHEM_EXACT_MASS>
89.084063974

> <PUBCHEM_MOLECULAR_FORMULA>
C4H11NO

> <PUBCHEM_MOLECULAR_WEIGHT>
89.14

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)(CO)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)(CO)N

> <PUBCHEM_CACTVS_TPSA>
46.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
89.084063974

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <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

$$$$