408285
  -OEChem-07110710132D

 23 23  0     0  0  0  0  0  0999 V2000
    3.4030    2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810    0.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796    1.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    1.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249    0.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150   -1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0135   -0.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810    2.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796    1.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249    2.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    1.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249   -0.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264   -1.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  9  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
408285

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjIAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgAQAAAAAADhgAYAAANABAAAAAAAAAAAAAAAAAAAAIAIAAACQAAAAAATAAAAEACQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-morpholinoethanamine

> <PUBCHEM_IUPAC_CAS_NAME>
2-morpholinoethanamine

> <PUBCHEM_IUPAC_NAME>
2-morpholin-4-ylethanamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-morpholin-4-ylethanamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-morpholinoethanamine

> <PUBCHEM_NIST_INCHI>
InChI=1/C6H14N2O/c7-1-2-8-3-5-9-6-4-8/h1-7H2

> <PUBCHEM_CACTVS_XLOGP>
-1.1

> <PUBCHEM_CACTVS_EXACT_MASS>
130.111

> <PUBCHEM_OPENEYE_MF>
C6H14N2O

> <PUBCHEM_OPENEYE_MW>
130.188

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COCCN1CCN

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COCCN1CCN

> <PUBCHEM_CACTVS_TPSA>
38.5

> <PUBCHEM_OPENEYE_MONOISOTOPICWT>
130.111

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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

$$$$