2,5-dicyclohexyl-3-prop-2-ynylimidazol-4-amine

C18H27N3 — CID 62222440

IUPAC2,5-dicyclohexyl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(C2CCCCC2)nc(C2CCCCC2)c1N
InChIInChI=1S/C18H27N3/c1-2-13-21-17(19)16(14-9-5-3-6-10-14)20-18(21)15-11-7-4-8-12-15/h1,14-15H,3-13,19H2
InChIKeyVTVDGSOQSZPDBH-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.19
Rot. Bonds3

About 2,5-dicyclohexyl-3-prop-2-ynylimidazol-4-amine

2,5-dicyclohexyl-3-prop-2-ynylimidazol-4-amine (PubChem CID 62222440) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2,5-dicyclohexyl-3-prop-2-ynylimidazol-4-amine.

Molecular Properties

Compound Name2,5-dicyclohexyl-3-prop-2-ynylimidazol-4-amine
PubChem CID62222440
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2,5-dicyclohexyl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(C2CCCCC2)nc(C2CCCCC2)c1N
InChIInChI=1S/C18H27N3/c1-2-13-21-17(19)16(14-9-5-3-6-10-14)20-18(21)15-11-7-4-8-12-15/h1,14-15H,3-13,19H2
InChIKeyVTVDGSOQSZPDBH-UHFFFAOYSA-N
XLogP4.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-cyclohexyl-2-cyclopropyl-3-prop-2-ynylimidazol-4-amine
CID 62218974
2-cyclohexyl-5-(methoxymethyl)-3-prop-2-ynylimidazol-4-amine
CID 112752640
5-cyclohexyl-2-cyclopentyl-3-(2-methylpropyl)imidazol-4-amine
CID 63467846
5-cyclohexyl-2-cyclopropyl-3-prop-2-enylimidazol-4-amine
CID 62219496
2-cyclopentyl-5-pentan-2-yl-3-prop-2-ynylimidazol-4-amine
CID 55048559
5-cyclopentyl-2-cyclopropyl-3-propylimidazol-4-amine
CID 55049023
5-benzyl-2-cyclopentyl-3-prop-2-ynylimidazol-4-amine
CID 62222430
5-(4-chlorophenyl)-2-cyclopentyl-3-prop-2-ynylimidazol-4-amine
CID 62223834
2-cyclopropyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine
CID 62218449
5-cyclohexyl-2,3-dicyclopropylimidazol-4-amine
CID 55048507
2-cyclohexyl-3-ethyl-5-(oxan-3-yl)imidazol-4-amine
CID 63739138
5-cyclohexyl-2,3-diethylimidazol-4-amine
CID 62226573

Frequently Asked Questions

What is the IUPAC name of 2,5-dicyclohexyl-3-prop-2-ynylimidazol-4-amine?
The IUPAC name of 2,5-dicyclohexyl-3-prop-2-ynylimidazol-4-amine (CID 62222440) is 2,5-dicyclohexyl-3-prop-2-ynylimidazol-4-amine.
What is the SMILES notation for 2,5-dicyclohexyl-3-prop-2-ynylimidazol-4-amine?
The canonical SMILES for 2,5-dicyclohexyl-3-prop-2-ynylimidazol-4-amine is C#CCn1c(C2CCCCC2)nc(C2CCCCC2)c1N.
What is the InChIKey of 2,5-dicyclohexyl-3-prop-2-ynylimidazol-4-amine?
The InChIKey is VTVDGSOQSZPDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-2-13-21-17(19)16(14-9-5-3-6-10-14)20-18(21)15-11-7-4-8-12-15/h1,14-15H,3-13,19H2.
What are the key properties of 2,5-dicyclohexyl-3-prop-2-ynylimidazol-4-amine?
2,5-dicyclohexyl-3-prop-2-ynylimidazol-4-amine has a molecular weight of 285.44 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dicyclohexyl-3-prop-2-ynylimidazol-4-amine is sourced from PubChem (CID 62222440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).