5-bromo-6-methyl-N-[2-(4-methylcyclohexyl)ethyl]pyridin-2-amine

C15H23BrN2 — CID 114046569

IUPAC5-bromo-6-methyl-N-[2-(4-methylcyclohexyl)ethyl]pyridin-2-amine
SMILESCc1nc(NCCC2CCC(C)CC2)ccc1Br
InChIInChI=1S/C15H23BrN2/c1-11-3-5-13(6-4-11)9-10-17-15-8-7-14(16)12(2)18-15/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,17,18)
InChIKeyIWVNMBMXWNNBLX-UHFFFAOYSA-N
MW311.27 g/mol
LogP4.78
Rot. Bonds4

About 5-bromo-6-methyl-N-[2-(4-methylcyclohexyl)ethyl]pyridin-2-amine

5-bromo-6-methyl-N-[2-(4-methylcyclohexyl)ethyl]pyridin-2-amine (PubChem CID 114046569) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 5-bromo-6-methyl-N-[2-(4-methylcyclohexyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-6-methyl-N-[2-(4-methylcyclohexyl)ethyl]pyridin-2-amine
PubChem CID114046569
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name5-bromo-6-methyl-N-[2-(4-methylcyclohexyl)ethyl]pyridin-2-amine
SMILESCc1nc(NCCC2CCC(C)CC2)ccc1Br
InChIInChI=1S/C15H23BrN2/c1-11-3-5-13(6-4-11)9-10-17-15-8-7-14(16)12(2)18-15/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,17,18)
InChIKeyIWVNMBMXWNNBLX-UHFFFAOYSA-N
XLogP4.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-6-methyl-N-[2-(4-methylcyclohexyl)ethyl]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-6-methyl-N-[2-(4-methylcyclohexyl)ethyl]pyridin-2-amine?
The IUPAC name of 5-bromo-6-methyl-N-[2-(4-methylcyclohexyl)ethyl]pyridin-2-amine (CID 114046569) is 5-bromo-6-methyl-N-[2-(4-methylcyclohexyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-6-methyl-N-[2-(4-methylcyclohexyl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-6-methyl-N-[2-(4-methylcyclohexyl)ethyl]pyridin-2-amine is Cc1nc(NCCC2CCC(C)CC2)ccc1Br.
What is the InChIKey of 5-bromo-6-methyl-N-[2-(4-methylcyclohexyl)ethyl]pyridin-2-amine?
The InChIKey is IWVNMBMXWNNBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-11-3-5-13(6-4-11)9-10-17-15-8-7-14(16)12(2)18-15/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,17,18).
What are the key properties of 5-bromo-6-methyl-N-[2-(4-methylcyclohexyl)ethyl]pyridin-2-amine?
5-bromo-6-methyl-N-[2-(4-methylcyclohexyl)ethyl]pyridin-2-amine has a molecular weight of 311.27 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-N-[2-(4-methylcyclohexyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 114046569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).