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

C13H19BrN2 — CID 63961107

IUPAC6-bromo-N-methyl-N-(3-methylcyclohexyl)pyridin-2-amine
SMILESCC1CCCC(N(C)c2cccc(Br)n2)C1
InChIInChI=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
InChIKeyJWAYOGPSBLQPNF-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.86
Rot. Bonds2

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 Name6-bromo-N-methyl-N-(3-methylcyclohexyl)pyridin-2-amine
PubChem CID63961107
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name6-bromo-N-methyl-N-(3-methylcyclohexyl)pyridin-2-amine
SMILESCC1CCCC(N(C)c2cccc(Br)n2)C1
InChIInChI=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
InChIKeyJWAYOGPSBLQPNF-UHFFFAOYSA-N
XLogP3.86
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.86
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 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).