61055
  -OEChem-06111213152D

 26 26  0     0  0  0  0  0  0999 V2000
    4.2690    2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    0.7274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    1.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924    1.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909    0.7274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810   -0.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796   -0.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    2.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    2.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909    2.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924    2.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909   -0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924   -0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150   -2.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0135   -1.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8800    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 10  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  9  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
61055

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
81.7

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBjIAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgAQAAAACADhgAYAAANABAAAAAAAAAAAAAAAAAAAAIAIAAACAAAAQAAHAAAAEACQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-morpholinopropan-1-amine

> <PUBCHEM_IUPAC_CAS_NAME>
3-(4-morpholinyl)-1-propanamine

> <PUBCHEM_IUPAC_NAME>
3-morpholin-4-ylpropan-1-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-morpholin-4-ylpropan-1-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-morpholinopropylamine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H16N2O/c8-2-1-3-9-4-6-10-7-5-9/h1-8H2

> <PUBCHEM_IUPAC_INCHIKEY>
UIKUBYKUYUSRSM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.7

> <PUBCHEM_EXACT_MASS>
144.126263

> <PUBCHEM_MOLECULAR_FORMULA>
C7H16N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
144.21474

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COCCN1CCCN

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COCCN1CCCN

> <PUBCHEM_CACTVS_TPSA>
38.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
144.126263

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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

$$$$