6-bromo-N-methyl-N-(3-methylcyclohexyl)pyridin-2-amine

C₁₃H₁₉BrN₂ — CID 63961107

About 6-bromo-N-methyl-N-(3-methylcyclohexyl)pyridin-2-amine

6-bromo-N-methyl-N-(3-methylcyclohexyl)pyridin-2-amine (PubChem CID 63961107) has the molecular formula C₁₃H₁₉BrN₂ and a molecular weight of 283.21 g/mol. Its IUPAC name is 6-bromo-N-methyl-N-(3-methylcyclohexyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 6-bromo-N-methyl-N-(3-methylcyclohexyl)pyridin-2-amine
• PubChem CID: 63961107
• Molecular Formula: C₁₃H₁₉BrN₂
• Molecular Weight: 283.21 g/mol
• Exact Mass: 282.07
• IUPAC Name: 6-bromo-N-methyl-N-(3-methylcyclohexyl)pyridin-2-amine
• SMILES: CC1CCCC(N(C)c2cccc(Br)n2)C1
• InChI: InChI=1S/C13H19BrN2/c1-10-5-3-6-11(9-10)16(2)13-8-4-7-12(14)15-13/h4,7-8,10-11H,3,5-6,9H2,1-2H3
• InChIKey: JWAYOGPSBLQPNF-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 16.13 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	283.21
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-N-(3-methylcyclohexyl)pyridin-2-amine?

The IUPAC name of 6-bromo-N-methyl-N-(3-methylcyclohexyl)pyridin-2-amine (CID 63961107) is 6-bromo-N-methyl-N-(3-methylcyclohexyl)pyridin-2-amine.

What is the SMILES notation for 6-bromo-N-methyl-N-(3-methylcyclohexyl)pyridin-2-amine?

The canonical SMILES for 6-bromo-N-methyl-N-(3-methylcyclohexyl)pyridin-2-amine is CC1CCCC(N(C)c2cccc(Br)n2)C1.

What is the InChIKey of 6-bromo-N-methyl-N-(3-methylcyclohexyl)pyridin-2-amine?

The InChIKey is JWAYOGPSBLQPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10-5-3-6-11(9-10)16(2)13-8-4-7-12(14)15-13/h4,7-8,10-11H,3,5-6,9H2,1-2H3.

What are the key properties of 6-bromo-N-methyl-N-(3-methylcyclohexyl)pyridin-2-amine?

6-bromo-N-methyl-N-(3-methylcyclohexyl)pyridin-2-amine has a molecular weight of 283.21 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-methyl-N-(3-methylcyclohexyl)pyridin-2-amine is sourced from PubChem (CID 63961107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63961107 — identifiers, structure, computed properties (public domain)

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