2-cyclohexyl-3-cyclopropyl-5-pentan-2-ylimidazol-4-amine

C17H29N3 — CID 62222251

IUPAC2-cyclohexyl-3-cyclopropyl-5-pentan-2-ylimidazol-4-amine
SMILESCCCC(C)c1nc(C2CCCCC2)n(C2CC2)c1N
InChIInChI=1S/C17H29N3/c1-3-7-12(2)15-16(18)20(14-10-11-14)17(19-15)13-8-5-4-6-9-13/h12-14H,3-11,18H2,1-2H3
InChIKeyJJLXZROHSBDVDZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.75
Rot. Bonds5

About 2-cyclohexyl-3-cyclopropyl-5-pentan-2-ylimidazol-4-amine

2-cyclohexyl-3-cyclopropyl-5-pentan-2-ylimidazol-4-amine (PubChem CID 62222251) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-cyclohexyl-3-cyclopropyl-5-pentan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name2-cyclohexyl-3-cyclopropyl-5-pentan-2-ylimidazol-4-amine
PubChem CID62222251
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-cyclohexyl-3-cyclopropyl-5-pentan-2-ylimidazol-4-amine
SMILESCCCC(C)c1nc(C2CCCCC2)n(C2CC2)c1N
InChIInChI=1S/C17H29N3/c1-3-7-12(2)15-16(18)20(14-10-11-14)17(19-15)13-8-5-4-6-9-13/h12-14H,3-11,18H2,1-2H3
InChIKeyJJLXZROHSBDVDZ-UHFFFAOYSA-N
XLogP4.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclohexyl-3-cyclopropyl-5-pentan-2-ylimidazol-4-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 2-cyclohexyl-3-cyclopropyl-5-pentan-2-ylimidazol-4-amine?
The IUPAC name of 2-cyclohexyl-3-cyclopropyl-5-pentan-2-ylimidazol-4-amine (CID 62222251) is 2-cyclohexyl-3-cyclopropyl-5-pentan-2-ylimidazol-4-amine.
What is the SMILES notation for 2-cyclohexyl-3-cyclopropyl-5-pentan-2-ylimidazol-4-amine?
The canonical SMILES for 2-cyclohexyl-3-cyclopropyl-5-pentan-2-ylimidazol-4-amine is CCCC(C)c1nc(C2CCCCC2)n(C2CC2)c1N.
What is the InChIKey of 2-cyclohexyl-3-cyclopropyl-5-pentan-2-ylimidazol-4-amine?
The InChIKey is JJLXZROHSBDVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-7-12(2)15-16(18)20(14-10-11-14)17(19-15)13-8-5-4-6-9-13/h12-14H,3-11,18H2,1-2H3.
What are the key properties of 2-cyclohexyl-3-cyclopropyl-5-pentan-2-ylimidazol-4-amine?
2-cyclohexyl-3-cyclopropyl-5-pentan-2-ylimidazol-4-amine has a molecular weight of 275.44 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-cyclopropyl-5-pentan-2-ylimidazol-4-amine is sourced from PubChem (CID 62222251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).