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

C13H19ClN2 — CID 102824064

IUPAC2-chloro-N-methyl-N-(3-methylcyclohexyl)pyridin-4-amine
SMILESCC1CCCC(N(C)c2ccnc(Cl)c2)C1
InChIInChI=1S/C13H19ClN2/c1-10-4-3-5-11(8-10)16(2)12-6-7-15-13(14)9-12/h6-7,9-11H,3-5,8H2,1-2H3
InChIKeyUUFUAWDJLFQYPZ-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.75
Rot. Bonds2

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

2-chloro-N-methyl-N-(3-methylcyclohexyl)pyridin-4-amine (PubChem CID 102824064) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(3-methylcyclohexyl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(3-methylcyclohexyl)pyridin-4-amine
PubChem CID102824064
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name2-chloro-N-methyl-N-(3-methylcyclohexyl)pyridin-4-amine
SMILESCC1CCCC(N(C)c2ccnc(Cl)c2)C1
InChIInChI=1S/C13H19ClN2/c1-10-4-3-5-11(8-10)16(2)12-6-7-15-13(14)9-12/h6-7,9-11H,3-5,8H2,1-2H3
InChIKeyUUFUAWDJLFQYPZ-UHFFFAOYSA-N
XLogP3.75
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(3-methylcyclohexyl)pyridin-4-amine?
The IUPAC name of 2-chloro-N-methyl-N-(3-methylcyclohexyl)pyridin-4-amine (CID 102824064) is 2-chloro-N-methyl-N-(3-methylcyclohexyl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-(3-methylcyclohexyl)pyridin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-N-(3-methylcyclohexyl)pyridin-4-amine is CC1CCCC(N(C)c2ccnc(Cl)c2)C1.
What is the InChIKey of 2-chloro-N-methyl-N-(3-methylcyclohexyl)pyridin-4-amine?
The InChIKey is UUFUAWDJLFQYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10-4-3-5-11(8-10)16(2)12-6-7-15-13(14)9-12/h6-7,9-11H,3-5,8H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-(3-methylcyclohexyl)pyridin-4-amine?
2-chloro-N-methyl-N-(3-methylcyclohexyl)pyridin-4-amine has a molecular weight of 238.76 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(3-methylcyclohexyl)pyridin-4-amine is sourced from PubChem (CID 102824064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).