2-cyclohexyl-5-ethyl-3-prop-2-enylimidazol-4-amine

C14H23N3 — CID 62223842

IUPAC2-cyclohexyl-5-ethyl-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C2CCCCC2)nc(CC)c1N
InChIInChI=1S/C14H23N3/c1-3-10-17-13(15)12(4-2)16-14(17)11-8-6-5-7-9-11/h3,11H,1,4-10,15H2,2H3
InChIKeyDAUMNDOCPGLMHT-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.26
Rot. Bonds4

About 2-cyclohexyl-5-ethyl-3-prop-2-enylimidazol-4-amine

2-cyclohexyl-5-ethyl-3-prop-2-enylimidazol-4-amine (PubChem CID 62223842) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-cyclohexyl-5-ethyl-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name2-cyclohexyl-5-ethyl-3-prop-2-enylimidazol-4-amine
PubChem CID62223842
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-cyclohexyl-5-ethyl-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C2CCCCC2)nc(CC)c1N
InChIInChI=1S/C14H23N3/c1-3-10-17-13(15)12(4-2)16-14(17)11-8-6-5-7-9-11/h3,11H,1,4-10,15H2,2H3
InChIKeyDAUMNDOCPGLMHT-UHFFFAOYSA-N
XLogP3.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-ethyl-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 2-cyclohexyl-5-ethyl-3-prop-2-enylimidazol-4-amine (CID 62223842) is 2-cyclohexyl-5-ethyl-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 2-cyclohexyl-5-ethyl-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 2-cyclohexyl-5-ethyl-3-prop-2-enylimidazol-4-amine is C=CCn1c(C2CCCCC2)nc(CC)c1N.
What is the InChIKey of 2-cyclohexyl-5-ethyl-3-prop-2-enylimidazol-4-amine?
The InChIKey is DAUMNDOCPGLMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-10-17-13(15)12(4-2)16-14(17)11-8-6-5-7-9-11/h3,11H,1,4-10,15H2,2H3.
What are the key properties of 2-cyclohexyl-5-ethyl-3-prop-2-enylimidazol-4-amine?
2-cyclohexyl-5-ethyl-3-prop-2-enylimidazol-4-amine has a molecular weight of 233.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-ethyl-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 62223842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).