156615
  -OEChem-10191521212D

 20 20  0     1  0  0  0  0  0999 V2000
    2.8090   -0.6530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633   -0.0141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    0.8858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122    0.2949    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5691   -0.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -0.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1043    1.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    0.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4411   -0.3116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2780   -0.9217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0577   -0.7560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7108    1.4019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9754    1.8795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4979    1.1441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.2730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7240    0.4007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3922   -0.6206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734    1.3874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -0.2568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  1 16  1  0  0  0  0
  4  2  1  1  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
156615

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
84.4

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjAAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHAAQAAAACCjBFgQvkBbJkACgARRnZAAAgC2xEqABUYA4cAiAaAJA2QGUAAAIkAJAQCAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R)-1-(1H-imidazol-5-yl)propan-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
(2R)-1-(1H-imidazol-5-yl)-2-propanamine

> <PUBCHEM_IUPAC_NAME>
(2R)-1-(1H-imidazol-5-yl)propan-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R)-1-(1H-imidazol-5-yl)propan-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(1R)-2-(1H-imidazol-5-yl)-1-methyl-ethyl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
XNQIOISZPFVUFG-RXMQYKEDSA-N

> <PUBCHEM_XLOGP3>
-0.3

> <PUBCHEM_EXACT_MASS>
125.095297

> <PUBCHEM_MOLECULAR_FORMULA>
C6H11N3

> <PUBCHEM_MOLECULAR_WEIGHT>
125.17164

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(CC1=CN=CN1)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H](CC1=CN=CN1)N

> <PUBCHEM_CACTVS_TPSA>
54.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
125.095297

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  6  8
1  9  8
4  2  5
3  8  8
3  9  8
6  8  8

$$$$