5-cyclooctyl-3-(2-methylpropyl)imidazol-4-amine

C15H27N3 — CID 114207922

IUPAC5-cyclooctyl-3-(2-methylpropyl)imidazol-4-amine
SMILESCC(C)Cn1cnc(C2CCCCCCC2)c1N
InChIInChI=1S/C15H27N3/c1-12(2)10-18-11-17-14(15(18)16)13-8-6-4-3-5-7-9-13/h11-13H,3-10,16H2,1-2H3
InChIKeyKDUIZWPPCSITKZ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.95
Rot. Bonds3

About 5-cyclooctyl-3-(2-methylpropyl)imidazol-4-amine

5-cyclooctyl-3-(2-methylpropyl)imidazol-4-amine (PubChem CID 114207922) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 5-cyclooctyl-3-(2-methylpropyl)imidazol-4-amine.

Molecular Properties

Compound Name5-cyclooctyl-3-(2-methylpropyl)imidazol-4-amine
PubChem CID114207922
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name5-cyclooctyl-3-(2-methylpropyl)imidazol-4-amine
SMILESCC(C)Cn1cnc(C2CCCCCCC2)c1N
InChIInChI=1S/C15H27N3/c1-12(2)10-18-11-17-14(15(18)16)13-8-6-4-3-5-7-9-13/h11-13H,3-10,16H2,1-2H3
InChIKeyKDUIZWPPCSITKZ-UHFFFAOYSA-N
XLogP3.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclooctyl-3-(2-methylpropyl)imidazol-4-amine?
The IUPAC name of 5-cyclooctyl-3-(2-methylpropyl)imidazol-4-amine (CID 114207922) is 5-cyclooctyl-3-(2-methylpropyl)imidazol-4-amine.
What is the SMILES notation for 5-cyclooctyl-3-(2-methylpropyl)imidazol-4-amine?
The canonical SMILES for 5-cyclooctyl-3-(2-methylpropyl)imidazol-4-amine is CC(C)Cn1cnc(C2CCCCCCC2)c1N.
What is the InChIKey of 5-cyclooctyl-3-(2-methylpropyl)imidazol-4-amine?
The InChIKey is KDUIZWPPCSITKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12(2)10-18-11-17-14(15(18)16)13-8-6-4-3-5-7-9-13/h11-13H,3-10,16H2,1-2H3.
What are the key properties of 5-cyclooctyl-3-(2-methylpropyl)imidazol-4-amine?
5-cyclooctyl-3-(2-methylpropyl)imidazol-4-amine has a molecular weight of 249.40 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclooctyl-3-(2-methylpropyl)imidazol-4-amine is sourced from PubChem (CID 114207922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).