2-cyclohexyl-5-(oxan-3-yl)-3-prop-2-enylimidazol-4-amine

C17H27N3O — CID 63737028

IUPAC2-cyclohexyl-5-(oxan-3-yl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C2CCCCC2)nc(C2CCCOC2)c1N
InChIInChI=1S/C17H27N3O/c1-2-10-20-16(18)15(14-9-6-11-21-12-14)19-17(20)13-7-4-3-5-8-13/h2,13-14H,1,3-12,18H2
InChIKeyXNQUPAMSQZALGO-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.59
Rot. Bonds4

About 2-cyclohexyl-5-(oxan-3-yl)-3-prop-2-enylimidazol-4-amine

2-cyclohexyl-5-(oxan-3-yl)-3-prop-2-enylimidazol-4-amine (PubChem CID 63737028) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-cyclohexyl-5-(oxan-3-yl)-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name2-cyclohexyl-5-(oxan-3-yl)-3-prop-2-enylimidazol-4-amine
PubChem CID63737028
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-cyclohexyl-5-(oxan-3-yl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C2CCCCC2)nc(C2CCCOC2)c1N
InChIInChI=1S/C17H27N3O/c1-2-10-20-16(18)15(14-9-6-11-21-12-14)19-17(20)13-7-4-3-5-8-13/h2,13-14H,1,3-12,18H2
InChIKeyXNQUPAMSQZALGO-UHFFFAOYSA-N
XLogP3.59
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-3-ethyl-5-(oxan-3-yl)imidazol-4-amine
CID 63739138
5-cyclohexyl-2-cyclopropyl-3-prop-2-enylimidazol-4-amine
CID 62219496
2-cyclohexyl-5-(oxan-3-yl)-3-propylimidazol-4-amine
CID 63739139
2-cyclohexyl-5-ethyl-3-prop-2-enylimidazol-4-amine
CID 62223842
2-cyclohexyl-5-(2,2-dimethylpropyl)-3-prop-2-enylimidazol-4-amine
CID 62966344
2,5-dicyclohexyl-3-prop-2-ynylimidazol-4-amine
CID 62222440
5-cyclohexyl-2-cyclopentyl-3-(2-methylpropyl)imidazol-4-amine
CID 63467846
5-cyclohexyl-2-cyclopropyl-3-prop-2-ynylimidazol-4-amine
CID 62218974
3-methyl-5-(oxan-3-yl)-2-propylimidazol-4-amine
CID 63737711
2-cyclohexyl-4-(oxan-4-yl)imidazole-1,5-diamine
CID 62506285
5-cyclopentyl-2-cyclopropyl-3-propylimidazol-4-amine
CID 55049023
4-(oxan-3-yl)-2-propan-2-ylimidazole-1,5-diamine
CID 63737207

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-(oxan-3-yl)-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 2-cyclohexyl-5-(oxan-3-yl)-3-prop-2-enylimidazol-4-amine (CID 63737028) is 2-cyclohexyl-5-(oxan-3-yl)-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 2-cyclohexyl-5-(oxan-3-yl)-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 2-cyclohexyl-5-(oxan-3-yl)-3-prop-2-enylimidazol-4-amine is C=CCn1c(C2CCCCC2)nc(C2CCCOC2)c1N.
What is the InChIKey of 2-cyclohexyl-5-(oxan-3-yl)-3-prop-2-enylimidazol-4-amine?
The InChIKey is XNQUPAMSQZALGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-10-20-16(18)15(14-9-6-11-21-12-14)19-17(20)13-7-4-3-5-8-13/h2,13-14H,1,3-12,18H2.
What are the key properties of 2-cyclohexyl-5-(oxan-3-yl)-3-prop-2-enylimidazol-4-amine?
2-cyclohexyl-5-(oxan-3-yl)-3-prop-2-enylimidazol-4-amine has a molecular weight of 289.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-(oxan-3-yl)-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 63737028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).