20360262
  -OEChem-04192405282D

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    6.1661    8.1319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8982    9.1319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    1.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    2.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1661    7.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8982   10.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
20360262

> <PUBCHEM_COMPOUND_CANONICALIZED>
0

> <PUBCHEM_CACTVS_COMPLEXITY>
407

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
13

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7gAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAAAAAAAHAAAAAAACCjBAAQDAAMAAAAgAAAAJAAAAAAAAAAAAAAIAAAAQAIAgAAQAAAAAAAAAAEQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H29N3.C13H22N2/c1-4-5-6-7-8-9-10-11-15-14-16-12-13-17(2)3;1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h4-13H2,1-3H3;12-13H,1-10H2

> <PUBCHEM_IUPAC_INCHIKEY>
BDBXRUDJRMJSIJ-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
445.41444665

> <PUBCHEM_MOLECULAR_FORMULA>
C27H51N5

> <PUBCHEM_MOLECULAR_WEIGHT>
445.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCN=C=NCCN(C)C.C1CCC(CC1)N=C=NC2CCCCC2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCN=C=NCCN(C)C.C1CCC(CC1)N=C=NC2CCCCC2

> <PUBCHEM_CACTVS_TPSA>
52.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
445.41444665

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$