N-cyclopentyl-1-(2,3-dimethylcyclohexyl)-4-methylimidazol-2-amine

C17H29N3 — CID 106558293

IUPACN-cyclopentyl-1-(2,3-dimethylcyclohexyl)-4-methylimidazol-2-amine
SMILESCc1cn(C2CCCC(C)C2C)c(NC2CCCC2)n1
InChIInChI=1S/C17H29N3/c1-12-7-6-10-16(14(12)3)20-11-13(2)18-17(20)19-15-8-4-5-9-15/h11-12,14-16H,4-10H2,1-3H3,(H,18,19)
InChIKeyUSIQSMTUECFOTG-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.54
Rot. Bonds3

About N-cyclopentyl-1-(2,3-dimethylcyclohexyl)-4-methylimidazol-2-amine

N-cyclopentyl-1-(2,3-dimethylcyclohexyl)-4-methylimidazol-2-amine (PubChem CID 106558293) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-cyclopentyl-1-(2,3-dimethylcyclohexyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-1-(2,3-dimethylcyclohexyl)-4-methylimidazol-2-amine
PubChem CID106558293
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-cyclopentyl-1-(2,3-dimethylcyclohexyl)-4-methylimidazol-2-amine
SMILESCc1cn(C2CCCC(C)C2C)c(NC2CCCC2)n1
InChIInChI=1S/C17H29N3/c1-12-7-6-10-16(14(12)3)20-11-13(2)18-17(20)19-15-8-4-5-9-15/h11-12,14-16H,4-10H2,1-3H3,(H,18,19)
InChIKeyUSIQSMTUECFOTG-UHFFFAOYSA-N
XLogP4.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(2,3-dimethylcyclohexyl)-4-methylimidazol-2-amine?
The IUPAC name of N-cyclopentyl-1-(2,3-dimethylcyclohexyl)-4-methylimidazol-2-amine (CID 106558293) is N-cyclopentyl-1-(2,3-dimethylcyclohexyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-cyclopentyl-1-(2,3-dimethylcyclohexyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-cyclopentyl-1-(2,3-dimethylcyclohexyl)-4-methylimidazol-2-amine is Cc1cn(C2CCCC(C)C2C)c(NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-1-(2,3-dimethylcyclohexyl)-4-methylimidazol-2-amine?
The InChIKey is USIQSMTUECFOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-12-7-6-10-16(14(12)3)20-11-13(2)18-17(20)19-15-8-4-5-9-15/h11-12,14-16H,4-10H2,1-3H3,(H,18,19).
What are the key properties of N-cyclopentyl-1-(2,3-dimethylcyclohexyl)-4-methylimidazol-2-amine?
N-cyclopentyl-1-(2,3-dimethylcyclohexyl)-4-methylimidazol-2-amine has a molecular weight of 275.44 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(2,3-dimethylcyclohexyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106558293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).