6-chloro-4-methyl-N-pentan-3-ylpyridin-3-amine

C11H17ClN2 — CID 130497605

IUPAC6-chloro-4-methyl-N-pentan-3-ylpyridin-3-amine
SMILESCCC(CC)Nc1cnc(Cl)cc1C
InChIInChI=1S/C11H17ClN2/c1-4-9(5-2)14-10-7-13-11(12)6-8(10)3/h6-7,9,14H,4-5H2,1-3H3
InChIKeyKPPFUXKBOILBPO-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.64
Rot. Bonds4

About 6-chloro-4-methyl-N-pentan-3-ylpyridin-3-amine

6-chloro-4-methyl-N-pentan-3-ylpyridin-3-amine (PubChem CID 130497605) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 6-chloro-4-methyl-N-pentan-3-ylpyridin-3-amine.

Molecular Properties

Compound Name6-chloro-4-methyl-N-pentan-3-ylpyridin-3-amine
PubChem CID130497605
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name6-chloro-4-methyl-N-pentan-3-ylpyridin-3-amine
SMILESCCC(CC)Nc1cnc(Cl)cc1C
InChIInChI=1S/C11H17ClN2/c1-4-9(5-2)14-10-7-13-11(12)6-8(10)3/h6-7,9,14H,4-5H2,1-3H3
InChIKeyKPPFUXKBOILBPO-UHFFFAOYSA-N
XLogP3.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-chloro-4-methyl-N-pentan-3-ylpyridin-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 6-chloro-4-methyl-N-pentan-3-ylpyridin-3-amine?
The IUPAC name of 6-chloro-4-methyl-N-pentan-3-ylpyridin-3-amine (CID 130497605) is 6-chloro-4-methyl-N-pentan-3-ylpyridin-3-amine.
What is the SMILES notation for 6-chloro-4-methyl-N-pentan-3-ylpyridin-3-amine?
The canonical SMILES for 6-chloro-4-methyl-N-pentan-3-ylpyridin-3-amine is CCC(CC)Nc1cnc(Cl)cc1C.
What is the InChIKey of 6-chloro-4-methyl-N-pentan-3-ylpyridin-3-amine?
The InChIKey is KPPFUXKBOILBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-4-9(5-2)14-10-7-13-11(12)6-8(10)3/h6-7,9,14H,4-5H2,1-3H3.
What are the key properties of 6-chloro-4-methyl-N-pentan-3-ylpyridin-3-amine?
6-chloro-4-methyl-N-pentan-3-ylpyridin-3-amine has a molecular weight of 212.72 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-N-pentan-3-ylpyridin-3-amine is sourced from PubChem (CID 130497605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).