6-bromo-N-(3,4-dimethylcyclohexyl)-5-methylpyridin-3-amine

C14H21BrN2 — CID 114050192

IUPAC6-bromo-N-(3,4-dimethylcyclohexyl)-5-methylpyridin-3-amine
SMILESCc1cc(NC2CCC(C)C(C)C2)cnc1Br
InChIInChI=1S/C14H21BrN2/c1-9-4-5-12(6-10(9)2)17-13-7-11(3)14(15)16-8-13/h7-10,12,17H,4-6H2,1-3H3
InChIKeyASMIYUVCEWXSMT-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.39
Rot. Bonds2

About 6-bromo-N-(3,4-dimethylcyclohexyl)-5-methylpyridin-3-amine

6-bromo-N-(3,4-dimethylcyclohexyl)-5-methylpyridin-3-amine (PubChem CID 114050192) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 6-bromo-N-(3,4-dimethylcyclohexyl)-5-methylpyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-(3,4-dimethylcyclohexyl)-5-methylpyridin-3-amine
PubChem CID114050192
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name6-bromo-N-(3,4-dimethylcyclohexyl)-5-methylpyridin-3-amine
SMILESCc1cc(NC2CCC(C)C(C)C2)cnc1Br
InChIInChI=1S/C14H21BrN2/c1-9-4-5-12(6-10(9)2)17-13-7-11(3)14(15)16-8-13/h7-10,12,17H,4-6H2,1-3H3
InChIKeyASMIYUVCEWXSMT-UHFFFAOYSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-bromo-N-(3,4-dimethylcyclohexyl)-5-methylpyridin-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

Related Compounds

4-bromo-N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline
CID 107571712
6-bromo-N-cyclooctyl-5-methylpyridin-3-amine
CID 114050232
N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline
CID 64731599
6-bromo-5-methyl-N-(thiolan-3-yl)pyridin-3-amine
CID 104530611
2-N-(3,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine
CID 83266556
3-bromo-N-(3,4-dimethylcyclohexyl)-5-methoxyaniline
CID 82858459
1-N-(3,4-dimethylcyclohexyl)-4-methylbenzene-1,3-diamine
CID 64738718
4-[(3,4-dimethylcyclohexyl)amino]-2-methylbenzoic acid
CID 81282708
N-(3,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-2-amine
CID 64741526
2-N-(3,4-dimethylcyclohexyl)pyrimidine-2,5-diamine
CID 64740867
N-(3,4-dimethylcyclohexyl)-3-methylpyridin-2-amine
CID 64744055
5-bromo-N-(3,4-dimethylcyclohexyl)-3-nitropyridin-2-amine
CID 64744060

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3,4-dimethylcyclohexyl)-5-methylpyridin-3-amine?
The IUPAC name of 6-bromo-N-(3,4-dimethylcyclohexyl)-5-methylpyridin-3-amine (CID 114050192) is 6-bromo-N-(3,4-dimethylcyclohexyl)-5-methylpyridin-3-amine.
What is the SMILES notation for 6-bromo-N-(3,4-dimethylcyclohexyl)-5-methylpyridin-3-amine?
The canonical SMILES for 6-bromo-N-(3,4-dimethylcyclohexyl)-5-methylpyridin-3-amine is Cc1cc(NC2CCC(C)C(C)C2)cnc1Br.
What is the InChIKey of 6-bromo-N-(3,4-dimethylcyclohexyl)-5-methylpyridin-3-amine?
The InChIKey is ASMIYUVCEWXSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-9-4-5-12(6-10(9)2)17-13-7-11(3)14(15)16-8-13/h7-10,12,17H,4-6H2,1-3H3.
What are the key properties of 6-bromo-N-(3,4-dimethylcyclohexyl)-5-methylpyridin-3-amine?
6-bromo-N-(3,4-dimethylcyclohexyl)-5-methylpyridin-3-amine has a molecular weight of 297.24 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3,4-dimethylcyclohexyl)-5-methylpyridin-3-amine is sourced from PubChem (CID 114050192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).