1-(2-cyclohexylimino-4-methyl-1-pyridinyl)pentan-1-one

C17H26N2O — CID 134026929

IUPAC1-(2-cyclohexylimino-4-methyl-1-pyridinyl)pentan-1-one
SMILESCCCCC(=O)n1ccc(C)c/c1=N\C1CCCCC1
InChIInChI=1S/C17H26N2O/c1-3-4-10-17(20)19-12-11-14(2)13-16(19)18-15-8-6-5-7-9-15/h11-13,15H,3-10H2,1-2H3/b18-16+
InChIKeyNAMGWUCYDZVNJX-FBMGVBCBSA-N
MW274.41 g/mol
LogP3.86
Rot. Bonds4

About 1-(2-cyclohexylimino-4-methyl-1-pyridinyl)pentan-1-one

1-(2-cyclohexylimino-4-methyl-1-pyridinyl)pentan-1-one (PubChem CID 134026929) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(2-cyclohexylimino-4-methyl-1-pyridinyl)pentan-1-one.

Molecular Properties

Compound Name1-(2-cyclohexylimino-4-methyl-1-pyridinyl)pentan-1-one
PubChem CID134026929
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(2-cyclohexylimino-4-methyl-1-pyridinyl)pentan-1-one
SMILESCCCCC(=O)n1ccc(C)c/c1=N\C1CCCCC1
InChIInChI=1S/C17H26N2O/c1-3-4-10-17(20)19-12-11-14(2)13-16(19)18-15-8-6-5-7-9-15/h11-13,15H,3-10H2,1-2H3/b18-16+
InChIKeyNAMGWUCYDZVNJX-FBMGVBCBSA-N
XLogP3.86
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-cyclohexylimino-4-methyl-1-pyridinyl)pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylimino-4-methyl-1-pyridinyl)pentan-1-one?
The IUPAC name of 1-(2-cyclohexylimino-4-methyl-1-pyridinyl)pentan-1-one (CID 134026929) is 1-(2-cyclohexylimino-4-methyl-1-pyridinyl)pentan-1-one.
What is the SMILES notation for 1-(2-cyclohexylimino-4-methyl-1-pyridinyl)pentan-1-one?
The canonical SMILES for 1-(2-cyclohexylimino-4-methyl-1-pyridinyl)pentan-1-one is CCCCC(=O)n1ccc(C)c/c1=N\C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylimino-4-methyl-1-pyridinyl)pentan-1-one?
The InChIKey is NAMGWUCYDZVNJX-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-4-10-17(20)19-12-11-14(2)13-16(19)18-15-8-6-5-7-9-15/h11-13,15H,3-10H2,1-2H3/b18-16+.
What are the key properties of 1-(2-cyclohexylimino-4-methyl-1-pyridinyl)pentan-1-one?
1-(2-cyclohexylimino-4-methyl-1-pyridinyl)pentan-1-one has a molecular weight of 274.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylimino-4-methyl-1-pyridinyl)pentan-1-one is sourced from PubChem (CID 134026929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).