1-cyclohexyl-N-(3-ethylpentan-3-yl)-4-methylimidazol-2-amine

C17H31N3 — CID 106574939

IUPAC1-cyclohexyl-N-(3-ethylpentan-3-yl)-4-methylimidazol-2-amine
SMILESCCC(CC)(CC)Nc1nc(C)cn1C1CCCCC1
InChIInChI=1S/C17H31N3/c1-5-17(6-2,7-3)19-16-18-14(4)13-20(16)15-11-9-8-10-12-15/h13,15H,5-12H2,1-4H3,(H,18,19)
InChIKeyGZDBIEXSXLGUMF-UHFFFAOYSA-N
MW277.46 g/mol
LogP5.08
Rot. Bonds6

About 1-cyclohexyl-N-(3-ethylpentan-3-yl)-4-methylimidazol-2-amine

1-cyclohexyl-N-(3-ethylpentan-3-yl)-4-methylimidazol-2-amine (PubChem CID 106574939) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-cyclohexyl-N-(3-ethylpentan-3-yl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-(3-ethylpentan-3-yl)-4-methylimidazol-2-amine
PubChem CID106574939
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-cyclohexyl-N-(3-ethylpentan-3-yl)-4-methylimidazol-2-amine
SMILESCCC(CC)(CC)Nc1nc(C)cn1C1CCCCC1
InChIInChI=1S/C17H31N3/c1-5-17(6-2,7-3)19-16-18-14(4)13-20(16)15-11-9-8-10-12-15/h13,15H,5-12H2,1-4H3,(H,18,19)
InChIKeyGZDBIEXSXLGUMF-UHFFFAOYSA-N
XLogP5.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.46
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-N-(3-ethylpentan-3-yl)-4-methylimidazol-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 1-cyclohexyl-N-(3-ethylpentan-3-yl)-4-methylimidazol-2-amine?
The IUPAC name of 1-cyclohexyl-N-(3-ethylpentan-3-yl)-4-methylimidazol-2-amine (CID 106574939) is 1-cyclohexyl-N-(3-ethylpentan-3-yl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-(3-ethylpentan-3-yl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-cyclohexyl-N-(3-ethylpentan-3-yl)-4-methylimidazol-2-amine is CCC(CC)(CC)Nc1nc(C)cn1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(3-ethylpentan-3-yl)-4-methylimidazol-2-amine?
The InChIKey is GZDBIEXSXLGUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-17(6-2,7-3)19-16-18-14(4)13-20(16)15-11-9-8-10-12-15/h13,15H,5-12H2,1-4H3,(H,18,19).
What are the key properties of 1-cyclohexyl-N-(3-ethylpentan-3-yl)-4-methylimidazol-2-amine?
1-cyclohexyl-N-(3-ethylpentan-3-yl)-4-methylimidazol-2-amine has a molecular weight of 277.46 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(3-ethylpentan-3-yl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106574939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).