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

C15H23N3 — CID 62219496

IUPAC5-cyclohexyl-2-cyclopropyl-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C2CC2)nc(C2CCCCC2)c1N
InChIInChI=1S/C15H23N3/c1-2-10-18-14(16)13(11-6-4-3-5-7-11)17-15(18)12-8-9-12/h2,11-12H,1,3-10,16H2
InChIKeyQEYLKKRPCPQYNT-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.58
Rot. Bonds4

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

5-cyclohexyl-2-cyclopropyl-3-prop-2-enylimidazol-4-amine (PubChem CID 62219496) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-cyclohexyl-2-cyclopropyl-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name5-cyclohexyl-2-cyclopropyl-3-prop-2-enylimidazol-4-amine
PubChem CID62219496
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name5-cyclohexyl-2-cyclopropyl-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C2CC2)nc(C2CCCCC2)c1N
InChIInChI=1S/C15H23N3/c1-2-10-18-14(16)13(11-6-4-3-5-7-11)17-15(18)12-8-9-12/h2,11-12H,1,3-10,16H2
InChIKeyQEYLKKRPCPQYNT-UHFFFAOYSA-N
XLogP3.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.58
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 5-cyclohexyl-2-cyclopropyl-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 5-cyclohexyl-2-cyclopropyl-3-prop-2-enylimidazol-4-amine (CID 62219496) is 5-cyclohexyl-2-cyclopropyl-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 5-cyclohexyl-2-cyclopropyl-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 5-cyclohexyl-2-cyclopropyl-3-prop-2-enylimidazol-4-amine is C=CCn1c(C2CC2)nc(C2CCCCC2)c1N.
What is the InChIKey of 5-cyclohexyl-2-cyclopropyl-3-prop-2-enylimidazol-4-amine?
The InChIKey is QEYLKKRPCPQYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-10-18-14(16)13(11-6-4-3-5-7-11)17-15(18)12-8-9-12/h2,11-12H,1,3-10,16H2.
What are the key properties of 5-cyclohexyl-2-cyclopropyl-3-prop-2-enylimidazol-4-amine?
5-cyclohexyl-2-cyclopropyl-3-prop-2-enylimidazol-4-amine has a molecular weight of 245.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-cyclopropyl-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 62219496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).