1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-imine

C7H13N4P — CID 163825250

IUPAC1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-imine
SMILES[H]N=C1N(C)C(=C)N(P)C(=C)N1C
InChIInChI=1S/C7H13N4P/c1-5-9(3)7(8)10(4)6(2)11(5)12/h8H,1-2,12H2,3-4H3
InChIKeyKCBAOTOLHJQFSK-UHFFFAOYSA-N
MW184.18 g/mol
LogP0.83
Rot. Bonds

About 1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-imine

1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-imine (PubChem CID 163825250) has the molecular formula C7H13N4P and a molecular weight of 184.18 g/mol. Its IUPAC name is 1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-imine.

Molecular Properties

Compound Name1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-imine
PubChem CID163825250
Molecular FormulaC7H13N4P
Molecular Weight184.18 g/mol
Exact Mass184.09
IUPAC Name1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-imine
SMILES[H]N=C1N(C)C(=C)N(P)C(=C)N1C
InChIInChI=1S/C7H13N4P/c1-5-9(3)7(8)10(4)6(2)11(5)12/h8H,1-2,12H2,3-4H3
InChIKeyKCBAOTOLHJQFSK-UHFFFAOYSA-N
XLogP0.83
TPSA33.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.18
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(1,3-Dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-ylidene)azanide
CID 163825249

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-imine?
The IUPAC name of 1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-imine (CID 163825250) is 1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-imine.
What is the SMILES notation for 1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-imine?
The canonical SMILES for 1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-imine is [H]N=C1N(C)C(=C)N(P)C(=C)N1C.
What is the InChIKey of 1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-imine?
The InChIKey is KCBAOTOLHJQFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N4P/c1-5-9(3)7(8)10(4)6(2)11(5)12/h8H,1-2,12H2,3-4H3.
What are the key properties of 1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-imine?
1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-imine has a molecular weight of 184.18 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-imine is sourced from PubChem (CID 163825250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).