3-bromo-N-(2,3-dimethylcyclohexyl)-4-methylpyridin-2-amine

C14H21BrN2 — CID 106875451

IUPAC3-bromo-N-(2,3-dimethylcyclohexyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(NC2CCCC(C)C2C)c1Br
InChIInChI=1S/C14H21BrN2/c1-9-5-4-6-12(11(9)3)17-14-13(15)10(2)7-8-16-14/h7-9,11-12H,4-6H2,1-3H3,(H,16,17)
InChIKeyDEBTXRBXFPANNY-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.39
Rot. Bonds2

About 3-bromo-N-(2,3-dimethylcyclohexyl)-4-methylpyridin-2-amine

3-bromo-N-(2,3-dimethylcyclohexyl)-4-methylpyridin-2-amine (PubChem CID 106875451) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 3-bromo-N-(2,3-dimethylcyclohexyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(2,3-dimethylcyclohexyl)-4-methylpyridin-2-amine
PubChem CID106875451
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name3-bromo-N-(2,3-dimethylcyclohexyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(NC2CCCC(C)C2C)c1Br
InChIInChI=1S/C14H21BrN2/c1-9-5-4-6-12(11(9)3)17-14-13(15)10(2)7-8-16-14/h7-9,11-12H,4-6H2,1-3H3,(H,16,17)
InChIKeyDEBTXRBXFPANNY-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

Analyze 3-bromo-N-(2,3-dimethylcyclohexyl)-4-methylpyridin-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

Related Compounds

5-bromo-4-N-(2,3-dimethylcyclohexyl)pyrimidine-4,6-diamine
CID 114071933
3-bromo-N-cyclopropyl-4-methylpyridin-2-amine
CID 97181175
3-[(2,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one
CID 115677773
2-chloro-N-(2,3-dimethylcyclohexyl)-5-methylpyrimidin-4-amine
CID 79075440
N-(2,3-dimethylcyclohexyl)pyrimidin-2-amine
CID 43080219
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-nitropyridin-2-amine
CID 11938982
2,6-dibromo-N-(2,3-dimethylcyclohexyl)aniline
CID 107596947
N-(2,3-dimethylcyclohexyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686234
4-N-(2,3-dimethylcyclohexyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80777222
2-N-(2-methylcyclopentyl)pyridine-2,3-diamine
CID 63278381
3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpyridin-2-amine
CID 106876065
3-bromo-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 106876094

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,3-dimethylcyclohexyl)-4-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(2,3-dimethylcyclohexyl)-4-methylpyridin-2-amine (CID 106875451) is 3-bromo-N-(2,3-dimethylcyclohexyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(2,3-dimethylcyclohexyl)-4-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(2,3-dimethylcyclohexyl)-4-methylpyridin-2-amine is Cc1ccnc(NC2CCCC(C)C2C)c1Br.
What is the InChIKey of 3-bromo-N-(2,3-dimethylcyclohexyl)-4-methylpyridin-2-amine?
The InChIKey is DEBTXRBXFPANNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-9-5-4-6-12(11(9)3)17-14-13(15)10(2)7-8-16-14/h7-9,11-12H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 3-bromo-N-(2,3-dimethylcyclohexyl)-4-methylpyridin-2-amine?
3-bromo-N-(2,3-dimethylcyclohexyl)-4-methylpyridin-2-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 3-bromo-N-(2,3-dimethylcyclohexyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 106875451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).