96836
  -OEChem-06191300092D

 33 34  0     0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6077   -2.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0826   -1.6540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174   -1.6540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3923   -2.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0826    1.6540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6077    2.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3923    2.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174    1.6540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9174   -1.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6077   -1.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6077    1.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9174    1.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8100   -0.3291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8100    0.3291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6900   -2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6200   -1.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6200    1.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6900    2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 13  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 14  2  0  0  0  0
 12 28  1  0  0  0  0
 13 15  2  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
96836

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
284

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIAIAAAAAAAAAAAAAFiwAAAAAAAAAAAAAAAAAAAAAAAAAHAAAgCAACADBAAQAAAIAAACAQCBCAACAAAAAAAAIAAAIAAAAAAAAAQAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-allyl-N-[bis(aziridin-1-yl)phosphoryl]prop-2-en-1-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-[bis(1-aziridinyl)phosphoryl]-N-prop-2-enyl-2-propen-1-amine

> <PUBCHEM_IUPAC_NAME>
N-[bis(aziridin-1-yl)phosphoryl]-N-prop-2-enylprop-2-en-1-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[bis(aziridin-1-yl)phosphoryl]-N-prop-2-enyl-prop-2-en-1-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
diallyl(diethyleniminophosphoryl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H18N3OP/c1-3-5-11(6-4-2)15(14,12-7-8-12)13-9-10-13/h3-4H,1-2,5-10H2

> <PUBCHEM_IUPAC_INCHIKEY>
SRMNABONKJHKFQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.9

> <PUBCHEM_EXACT_MASS>
227.118749

> <PUBCHEM_MOLECULAR_FORMULA>
C10H18N3OP

> <PUBCHEM_MOLECULAR_WEIGHT>
227.243182

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CCN(CC=C)P(=O)(N1CC1)N2CC2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CCN(CC=C)P(=O)(N1CC1)N2CC2

> <PUBCHEM_CACTVS_TPSA>
26.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
227.118749

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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

$$$$