5-(4-tert-butylcyclohexyl)-2-ethyl-3-prop-2-enylimidazol-4-amine

C18H31N3 — CID 104575861

IUPAC5-(4-tert-butylcyclohexyl)-2-ethyl-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(CC)nc(C2CCC(C(C)(C)C)CC2)c1N
InChIInChI=1S/C18H31N3/c1-6-12-21-15(7-2)20-16(17(21)19)13-8-10-14(11-9-13)18(3,4)5/h6,13-14H,1,7-12,19H2,2-5H3
InChIKeyCZYAMXLXLHWBGX-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.53
Rot. Bonds4

About 5-(4-tert-butylcyclohexyl)-2-ethyl-3-prop-2-enylimidazol-4-amine

5-(4-tert-butylcyclohexyl)-2-ethyl-3-prop-2-enylimidazol-4-amine (PubChem CID 104575861) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 5-(4-tert-butylcyclohexyl)-2-ethyl-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-tert-butylcyclohexyl)-2-ethyl-3-prop-2-enylimidazol-4-amine
PubChem CID104575861
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name5-(4-tert-butylcyclohexyl)-2-ethyl-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(CC)nc(C2CCC(C(C)(C)C)CC2)c1N
InChIInChI=1S/C18H31N3/c1-6-12-21-15(7-2)20-16(17(21)19)13-8-10-14(11-9-13)18(3,4)5/h6,13-14H,1,7-12,19H2,2-5H3
InChIKeyCZYAMXLXLHWBGX-UHFFFAOYSA-N
XLogP4.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-tert-butylcyclohexyl)-2-ethyl-3-prop-2-enylimidazol-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

Related Compounds

5-cyclohexyl-2-cyclopropyl-3-prop-2-enylimidazol-4-amine
CID 62219496
5-cyclohexyl-2,3-diethylimidazol-4-amine
CID 62226573
2-tert-butyl-4-(4-tert-butylcyclohexyl)imidazole-1,5-diamine
CID 104575874
2-tert-butyl-5-cyclopropyl-3-propylimidazol-4-amine
CID 62218648
4-(4-tert-butylcyclohexyl)imidazole-1,5-diamine
CID 113428563
2-cyclohexyl-5-ethyl-3-prop-2-enylimidazol-4-amine
CID 62223842
5-(4-chlorophenyl)-2-ethyl-3-prop-2-enylimidazol-4-amine
CID 62219920
3-benzyl-5-cyclopentyl-2-ethylimidazol-4-amine
CID 62220469
2-(4-tert-butylcyclohexyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 104575946
5-(2,2-dimethylpropyl)-3-prop-2-enyl-2-propylimidazol-4-amine
CID 62964799
2-cyclohexyl-5-(2,2-dimethylpropyl)-3-prop-2-enylimidazol-4-amine
CID 62966344
2-cyclohexyl-5-(oxan-3-yl)-3-prop-2-enylimidazol-4-amine
CID 63737028

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylcyclohexyl)-2-ethyl-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 5-(4-tert-butylcyclohexyl)-2-ethyl-3-prop-2-enylimidazol-4-amine (CID 104575861) is 5-(4-tert-butylcyclohexyl)-2-ethyl-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 5-(4-tert-butylcyclohexyl)-2-ethyl-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 5-(4-tert-butylcyclohexyl)-2-ethyl-3-prop-2-enylimidazol-4-amine is C=CCn1c(CC)nc(C2CCC(C(C)(C)C)CC2)c1N.
What is the InChIKey of 5-(4-tert-butylcyclohexyl)-2-ethyl-3-prop-2-enylimidazol-4-amine?
The InChIKey is CZYAMXLXLHWBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-6-12-21-15(7-2)20-16(17(21)19)13-8-10-14(11-9-13)18(3,4)5/h6,13-14H,1,7-12,19H2,2-5H3.
What are the key properties of 5-(4-tert-butylcyclohexyl)-2-ethyl-3-prop-2-enylimidazol-4-amine?
5-(4-tert-butylcyclohexyl)-2-ethyl-3-prop-2-enylimidazol-4-amine has a molecular weight of 289.47 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylcyclohexyl)-2-ethyl-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 104575861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).