3-[3,4-dimethyl-6-[methyl(methylphosphanyl)amino]-2-pyridinyl]-4-methylcyclohexan-1-one

C16H25N2OP — CID 167291990

IUPAC3-[3,4-dimethyl-6-[methyl(methylphosphanyl)amino]-2-pyridinyl]-4-methylcyclohexan-1-one
SMILESCPN(C)c1cc(C)c(C)c(C2CC(=O)CCC2C)n1
InChIInChI=1S/C16H25N2OP/c1-10-6-7-13(19)9-14(10)16-12(3)11(2)8-15(17-16)18(4)20-5/h8,10,14,20H,6-7,9H2,1-5H3
InChIKeyRWABZOLZKRBXCN-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.83
Rot. Bonds3

About 3-[3,4-dimethyl-6-[methyl(methylphosphanyl)amino]-2-pyridinyl]-4-methylcyclohexan-1-one

3-[3,4-dimethyl-6-[methyl(methylphosphanyl)amino]-2-pyridinyl]-4-methylcyclohexan-1-one (PubChem CID 167291990) has the molecular formula C16H25N2OP and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-[3,4-dimethyl-6-[methyl(methylphosphanyl)amino]-2-pyridinyl]-4-methylcyclohexan-1-one.

Molecular Properties

Compound Name3-[3,4-dimethyl-6-[methyl(methylphosphanyl)amino]-2-pyridinyl]-4-methylcyclohexan-1-one
PubChem CID167291990
Molecular FormulaC16H25N2OP
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC Name3-[3,4-dimethyl-6-[methyl(methylphosphanyl)amino]-2-pyridinyl]-4-methylcyclohexan-1-one
SMILESCPN(C)c1cc(C)c(C)c(C2CC(=O)CCC2C)n1
InChIInChI=1S/C16H25N2OP/c1-10-6-7-13(19)9-14(10)16-12(3)11(2)8-15(17-16)18(4)20-5/h8,10,14,20H,6-7,9H2,1-5H3
InChIKeyRWABZOLZKRBXCN-UHFFFAOYSA-N
XLogP3.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3,4-dimethyl-6-[methyl(methylphosphanyl)amino]-2-pyridinyl]-4-methylcyclohexan-1-one?
The IUPAC name of 3-[3,4-dimethyl-6-[methyl(methylphosphanyl)amino]-2-pyridinyl]-4-methylcyclohexan-1-one (CID 167291990) is 3-[3,4-dimethyl-6-[methyl(methylphosphanyl)amino]-2-pyridinyl]-4-methylcyclohexan-1-one.
What is the SMILES notation for 3-[3,4-dimethyl-6-[methyl(methylphosphanyl)amino]-2-pyridinyl]-4-methylcyclohexan-1-one?
The canonical SMILES for 3-[3,4-dimethyl-6-[methyl(methylphosphanyl)amino]-2-pyridinyl]-4-methylcyclohexan-1-one is CPN(C)c1cc(C)c(C)c(C2CC(=O)CCC2C)n1.
What is the InChIKey of 3-[3,4-dimethyl-6-[methyl(methylphosphanyl)amino]-2-pyridinyl]-4-methylcyclohexan-1-one?
The InChIKey is RWABZOLZKRBXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N2OP/c1-10-6-7-13(19)9-14(10)16-12(3)11(2)8-15(17-16)18(4)20-5/h8,10,14,20H,6-7,9H2,1-5H3.
What are the key properties of 3-[3,4-dimethyl-6-[methyl(methylphosphanyl)amino]-2-pyridinyl]-4-methylcyclohexan-1-one?
3-[3,4-dimethyl-6-[methyl(methylphosphanyl)amino]-2-pyridinyl]-4-methylcyclohexan-1-one has a molecular weight of 292.36 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,4-dimethyl-6-[methyl(methylphosphanyl)amino]-2-pyridinyl]-4-methylcyclohexan-1-one is sourced from PubChem (CID 167291990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).