5-bromo-N,6-dimethyl-N-(4-methylpentyl)pyridin-2-amine

C13H21BrN2 — CID 115148353

IUPAC5-bromo-N,6-dimethyl-N-(4-methylpentyl)pyridin-2-amine
SMILESCc1nc(N(C)CCCC(C)C)ccc1Br
InChIInChI=1S/C13H21BrN2/c1-10(2)6-5-9-16(4)13-8-7-12(14)11(3)15-13/h7-8,10H,5-6,9H2,1-4H3
InChIKeyNJXGGLSSEKZVIJ-UHFFFAOYSA-N
MW285.23 g/mol
LogP4.02
Rot. Bonds5

About 5-bromo-N,6-dimethyl-N-(4-methylpentyl)pyridin-2-amine

5-bromo-N,6-dimethyl-N-(4-methylpentyl)pyridin-2-amine (PubChem CID 115148353) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 5-bromo-N,6-dimethyl-N-(4-methylpentyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N,6-dimethyl-N-(4-methylpentyl)pyridin-2-amine
PubChem CID115148353
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name5-bromo-N,6-dimethyl-N-(4-methylpentyl)pyridin-2-amine
SMILESCc1nc(N(C)CCCC(C)C)ccc1Br
InChIInChI=1S/C13H21BrN2/c1-10(2)6-5-9-16(4)13-8-7-12(14)11(3)15-13/h7-8,10H,5-6,9H2,1-4H3
InChIKeyNJXGGLSSEKZVIJ-UHFFFAOYSA-N
XLogP4.02
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N,6-dimethyl-N-(4-methylpentyl)pyridin-2-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 5-bromo-N,6-dimethyl-N-(4-methylpentyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N,6-dimethyl-N-(4-methylpentyl)pyridin-2-amine (CID 115148353) is 5-bromo-N,6-dimethyl-N-(4-methylpentyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N,6-dimethyl-N-(4-methylpentyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N,6-dimethyl-N-(4-methylpentyl)pyridin-2-amine is Cc1nc(N(C)CCCC(C)C)ccc1Br.
What is the InChIKey of 5-bromo-N,6-dimethyl-N-(4-methylpentyl)pyridin-2-amine?
The InChIKey is NJXGGLSSEKZVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-10(2)6-5-9-16(4)13-8-7-12(14)11(3)15-13/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of 5-bromo-N,6-dimethyl-N-(4-methylpentyl)pyridin-2-amine?
5-bromo-N,6-dimethyl-N-(4-methylpentyl)pyridin-2-amine has a molecular weight of 285.23 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,6-dimethyl-N-(4-methylpentyl)pyridin-2-amine is sourced from PubChem (CID 115148353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).