2-chloro-4-methyl-N-(4-methylcyclohexyl)pyridin-3-amine

C13H19ClN2 — CID 65485680

IUPAC2-chloro-4-methyl-N-(4-methylcyclohexyl)pyridin-3-amine
SMILESCc1ccnc(Cl)c1NC1CCC(C)CC1
InChIInChI=1S/C13H19ClN2/c1-9-3-5-11(6-4-9)16-12-10(2)7-8-15-13(12)14/h7-9,11,16H,3-6H2,1-2H3
InChIKeyLOWPFCJQDOGFED-UHFFFAOYSA-N
MW238.76 g/mol
LogP4.03
Rot. Bonds2

About 2-chloro-4-methyl-N-(4-methylcyclohexyl)pyridin-3-amine

2-chloro-4-methyl-N-(4-methylcyclohexyl)pyridin-3-amine (PubChem CID 65485680) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(4-methylcyclohexyl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(4-methylcyclohexyl)pyridin-3-amine
PubChem CID65485680
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name2-chloro-4-methyl-N-(4-methylcyclohexyl)pyridin-3-amine
SMILESCc1ccnc(Cl)c1NC1CCC(C)CC1
InChIInChI=1S/C13H19ClN2/c1-9-3-5-11(6-4-9)16-12-10(2)7-8-15-13(12)14/h7-9,11,16H,3-6H2,1-2H3
InChIKeyLOWPFCJQDOGFED-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-4-methyl-N-(4-methylcyclohexyl)pyridin-3-amine 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 2-chloro-4-methyl-N-(4-methylcyclohexyl)pyridin-3-amine?
The IUPAC name of 2-chloro-4-methyl-N-(4-methylcyclohexyl)pyridin-3-amine (CID 65485680) is 2-chloro-4-methyl-N-(4-methylcyclohexyl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-4-methyl-N-(4-methylcyclohexyl)pyridin-3-amine?
The canonical SMILES for 2-chloro-4-methyl-N-(4-methylcyclohexyl)pyridin-3-amine is Cc1ccnc(Cl)c1NC1CCC(C)CC1.
What is the InChIKey of 2-chloro-4-methyl-N-(4-methylcyclohexyl)pyridin-3-amine?
The InChIKey is LOWPFCJQDOGFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-9-3-5-11(6-4-9)16-12-10(2)7-8-15-13(12)14/h7-9,11,16H,3-6H2,1-2H3.
What are the key properties of 2-chloro-4-methyl-N-(4-methylcyclohexyl)pyridin-3-amine?
2-chloro-4-methyl-N-(4-methylcyclohexyl)pyridin-3-amine has a molecular weight of 238.76 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(4-methylcyclohexyl)pyridin-3-amine is sourced from PubChem (CID 65485680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).