94205
  -OEChem-03261011582D

 23 23  0     1  0  0  0  0  0999 V2000
    4.5981   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.1900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7321    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.0400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -0.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -0.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -1.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.7269    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 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
94205

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
61.4

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiAAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHAAQAAAACCjBAAQCAALAAAAAAAAAAAAAAAAAAAAAAIAIAAAAAAIAgAAEAAAAEACAAAEQgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-ethylpiperidine

> <PUBCHEM_IUPAC_CAS_NAME>
2-ethylpiperidine

> <PUBCHEM_IUPAC_NAME>
2-ethylpiperidine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-ethylpiperidine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-ethylpiperidine

> <PUBCHEM_NIST_INCHI>
InChI=1S/C7H15N/c1-2-7-5-3-4-6-8-7/h7-8H,2-6H2,1H3

> <PUBCHEM_NIST_INCHIKEY>
QBBKKFZGCDJDQK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
113.120449

> <PUBCHEM_MOLECULAR_FORMULA>
C7H15N

> <PUBCHEM_MOLECULAR_WEIGHT>
113.2007

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1CCCCN1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1CCCCN1

> <PUBCHEM_CACTVS_TPSA>
12

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
113.120449

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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

> <PUBCHEM_BONDANNOTATIONS>
2  9  3

$$$$