2-cyclohexyl-5-(2,2-dimethylpropyl)-3-prop-2-enylimidazol-4-amine

C17H29N3 — CID 62966344

IUPAC2-cyclohexyl-5-(2,2-dimethylpropyl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C2CCCCC2)nc(CC(C)(C)C)c1N
InChIInChI=1S/C17H29N3/c1-5-11-20-15(18)14(12-17(2,3)4)19-16(20)13-9-7-6-8-10-13/h5,13H,1,6-12,18H2,2-4H3
InChIKeyHXMRXRHYMLHZHT-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.29
Rot. Bonds4

About 2-cyclohexyl-5-(2,2-dimethylpropyl)-3-prop-2-enylimidazol-4-amine

2-cyclohexyl-5-(2,2-dimethylpropyl)-3-prop-2-enylimidazol-4-amine (PubChem CID 62966344) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-cyclohexyl-5-(2,2-dimethylpropyl)-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name2-cyclohexyl-5-(2,2-dimethylpropyl)-3-prop-2-enylimidazol-4-amine
PubChem CID62966344
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-cyclohexyl-5-(2,2-dimethylpropyl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C2CCCCC2)nc(CC(C)(C)C)c1N
InChIInChI=1S/C17H29N3/c1-5-11-20-15(18)14(12-17(2,3)4)19-16(20)13-9-7-6-8-10-13/h5,13H,1,6-12,18H2,2-4H3
InChIKeyHXMRXRHYMLHZHT-UHFFFAOYSA-N
XLogP4.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.29
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-(2,2-dimethylpropyl)-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 2-cyclohexyl-5-(2,2-dimethylpropyl)-3-prop-2-enylimidazol-4-amine (CID 62966344) is 2-cyclohexyl-5-(2,2-dimethylpropyl)-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 2-cyclohexyl-5-(2,2-dimethylpropyl)-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 2-cyclohexyl-5-(2,2-dimethylpropyl)-3-prop-2-enylimidazol-4-amine is C=CCn1c(C2CCCCC2)nc(CC(C)(C)C)c1N.
What is the InChIKey of 2-cyclohexyl-5-(2,2-dimethylpropyl)-3-prop-2-enylimidazol-4-amine?
The InChIKey is HXMRXRHYMLHZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-11-20-15(18)14(12-17(2,3)4)19-16(20)13-9-7-6-8-10-13/h5,13H,1,6-12,18H2,2-4H3.
What are the key properties of 2-cyclohexyl-5-(2,2-dimethylpropyl)-3-prop-2-enylimidazol-4-amine?
2-cyclohexyl-5-(2,2-dimethylpropyl)-3-prop-2-enylimidazol-4-amine has a molecular weight of 275.44 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-(2,2-dimethylpropyl)-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 62966344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).