66460
  -OEChem-04252409262D

 21 20  0     0  0  0  0  0  0999 V2000
    4.5981    0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -0.6319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    0.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.6319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  2  0  0  0  0
  3 21  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 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
  8 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
66460

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
75.7

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAFAAQAAAAAAAAAAQDAANAAAAgAAAAIAAAAACAAAABAAAIAACAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,1,3,3-tetramethylguanidine

> <PUBCHEM_IUPAC_CAS_NAME>
1,1,3,3-tetramethylguanidine

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,1,3,3-tetramethylguanidine

> <PUBCHEM_IUPAC_NAME>
1,1,3,3-tetramethylguanidine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,1,3,3-tetramethylguanidine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,1,3,3-tetramethylguanidine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H13N3/c1-7(2)5(6)8(3)4/h6H,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
KYVBNYUBXIEUFW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
0.4

> <PUBCHEM_EXACT_MASS>
115.110947427

> <PUBCHEM_MOLECULAR_FORMULA>
C5H13N3

> <PUBCHEM_MOLECULAR_WEIGHT>
115.18

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)C(=N)N(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)C(=N)N(C)C

> <PUBCHEM_CACTVS_TPSA>
30.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
115.110947427

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <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

$$$$