5-bromo-N-(3,5-dimethylcyclohexyl)pyridin-3-amine

C13H19BrN2 — CID 104531796

IUPAC5-bromo-N-(3,5-dimethylcyclohexyl)pyridin-3-amine
SMILESCC1CC(C)CC(Nc2cncc(Br)c2)C1
InChIInChI=1S/C13H19BrN2/c1-9-3-10(2)5-12(4-9)16-13-6-11(14)7-15-8-13/h6-10,12,16H,3-5H2,1-2H3
InChIKeyMOCRSFOEVPSOLD-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.08
Rot. Bonds2

About 5-bromo-N-(3,5-dimethylcyclohexyl)pyridin-3-amine

5-bromo-N-(3,5-dimethylcyclohexyl)pyridin-3-amine (PubChem CID 104531796) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 5-bromo-N-(3,5-dimethylcyclohexyl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-(3,5-dimethylcyclohexyl)pyridin-3-amine
PubChem CID104531796
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name5-bromo-N-(3,5-dimethylcyclohexyl)pyridin-3-amine
SMILESCC1CC(C)CC(Nc2cncc(Br)c2)C1
InChIInChI=1S/C13H19BrN2/c1-9-3-10(2)5-12(4-9)16-13-6-11(14)7-15-8-13/h6-10,12,16H,3-5H2,1-2H3
InChIKeyMOCRSFOEVPSOLD-UHFFFAOYSA-N
XLogP4.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-(3,5-dimethylcyclohexyl)pyridin-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 5-bromo-N-(3,5-dimethylcyclohexyl)pyridin-3-amine?
The IUPAC name of 5-bromo-N-(3,5-dimethylcyclohexyl)pyridin-3-amine (CID 104531796) is 5-bromo-N-(3,5-dimethylcyclohexyl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-(3,5-dimethylcyclohexyl)pyridin-3-amine?
The canonical SMILES for 5-bromo-N-(3,5-dimethylcyclohexyl)pyridin-3-amine is CC1CC(C)CC(Nc2cncc(Br)c2)C1.
What is the InChIKey of 5-bromo-N-(3,5-dimethylcyclohexyl)pyridin-3-amine?
The InChIKey is MOCRSFOEVPSOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-9-3-10(2)5-12(4-9)16-13-6-11(14)7-15-8-13/h6-10,12,16H,3-5H2,1-2H3.
What are the key properties of 5-bromo-N-(3,5-dimethylcyclohexyl)pyridin-3-amine?
5-bromo-N-(3,5-dimethylcyclohexyl)pyridin-3-amine has a molecular weight of 283.21 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,5-dimethylcyclohexyl)pyridin-3-amine is sourced from PubChem (CID 104531796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).