3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)imidazo[1,2-a]pyridin-2-amine

C16H22BrN3 — CID 107081480

IUPAC3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)imidazo[1,2-a]pyridin-2-amine
SMILESCC1CCCC(N(C)c2nc3ccccn3c2CBr)C1
InChIInChI=1S/C16H22BrN3/c1-12-6-5-7-13(10-12)19(2)16-14(11-17)20-9-4-3-8-15(20)18-16/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3
InChIKeyJFEXDQRLQWWKSY-UHFFFAOYSA-N
MW336.28 g/mol
LogP4.24
Rot. Bonds3

About 3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)imidazo[1,2-a]pyridin-2-amine

3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)imidazo[1,2-a]pyridin-2-amine (PubChem CID 107081480) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is 3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)imidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound Name3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)imidazo[1,2-a]pyridin-2-amine
PubChem CID107081480
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC Name3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)imidazo[1,2-a]pyridin-2-amine
SMILESCC1CCCC(N(C)c2nc3ccccn3c2CBr)C1
InChIInChI=1S/C16H22BrN3/c1-12-6-5-7-13(10-12)19(2)16-14(11-17)20-9-4-3-8-15(20)18-16/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3
InChIKeyJFEXDQRLQWWKSY-UHFFFAOYSA-N
XLogP4.24
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)imidazo[1,2-a]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

Related Compounds

3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)quinolin-2-amine
CID 107081479
3-(chloromethyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridin-2-amine
CID 43611450
3-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 107083717
3-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]imidazo[1,2-a]pyridin-2-amine
CID 63865536
2-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline
CID 107081482
3-(aminomethyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridin-2-amine
CID 43611478
3-[(tert-butylamino)methyl]-N-cyclopropyl-N-methylimidazo[1,2-a]pyridin-2-amine
CID 63060182
3-(2-aminoethyl)-N-methyl-N-(1-methylpiperidin-3-yl)imidazo[1,2-a]pyridin-2-amine
CID 63782587
1-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylpiperidin-4-amine
CID 107080536
3-(bromomethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine
CID 107080729
N-cyclopropyl-N-methyl-3-[(2-methylpropylamino)methyl]imidazo[1,2-a]pyridin-2-amine
CID 63060183
3-(bromomethyl)-N-methyl-N-pentylimidazo[1,2-a]pyridin-2-amine
CID 107080119

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)imidazo[1,2-a]pyridin-2-amine?
The IUPAC name of 3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)imidazo[1,2-a]pyridin-2-amine (CID 107081480) is 3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)imidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for 3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)imidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for 3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)imidazo[1,2-a]pyridin-2-amine is CC1CCCC(N(C)c2nc3ccccn3c2CBr)C1.
What is the InChIKey of 3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)imidazo[1,2-a]pyridin-2-amine?
The InChIKey is JFEXDQRLQWWKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-12-6-5-7-13(10-12)19(2)16-14(11-17)20-9-4-3-8-15(20)18-16/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3.
What are the key properties of 3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)imidazo[1,2-a]pyridin-2-amine?
3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)imidazo[1,2-a]pyridin-2-amine has a molecular weight of 336.28 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)imidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 107081480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).