1-(2-cyclohexylethyl)-N-(2-methylpropyl)imidazol-2-amine

C15H27N3 — CID 106563373

IUPAC1-(2-cyclohexylethyl)-N-(2-methylpropyl)imidazol-2-amine
SMILESCC(C)CNc1nccn1CCC1CCCCC1
InChIInChI=1S/C15H27N3/c1-13(2)12-17-15-16-9-11-18(15)10-8-14-6-4-3-5-7-14/h9,11,13-14H,3-8,10,12H2,1-2H3,(H,16,17)
InChIKeyIGGDLMOUERVFBA-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.92
Rot. Bonds6

About 1-(2-cyclohexylethyl)-N-(2-methylpropyl)imidazol-2-amine

1-(2-cyclohexylethyl)-N-(2-methylpropyl)imidazol-2-amine (PubChem CID 106563373) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-N-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-N-(2-methylpropyl)imidazol-2-amine
PubChem CID106563373
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-(2-cyclohexylethyl)-N-(2-methylpropyl)imidazol-2-amine
SMILESCC(C)CNc1nccn1CCC1CCCCC1
InChIInChI=1S/C15H27N3/c1-13(2)12-17-15-16-9-11-18(15)10-8-14-6-4-3-5-7-14/h9,11,13-14H,3-8,10,12H2,1-2H3,(H,16,17)
InChIKeyIGGDLMOUERVFBA-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-N-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of 1-(2-cyclohexylethyl)-N-(2-methylpropyl)imidazol-2-amine (CID 106563373) is 1-(2-cyclohexylethyl)-N-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for 1-(2-cyclohexylethyl)-N-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for 1-(2-cyclohexylethyl)-N-(2-methylpropyl)imidazol-2-amine is CC(C)CNc1nccn1CCC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylethyl)-N-(2-methylpropyl)imidazol-2-amine?
The InChIKey is IGGDLMOUERVFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-13(2)12-17-15-16-9-11-18(15)10-8-14-6-4-3-5-7-14/h9,11,13-14H,3-8,10,12H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-cyclohexylethyl)-N-(2-methylpropyl)imidazol-2-amine?
1-(2-cyclohexylethyl)-N-(2-methylpropyl)imidazol-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-N-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106563373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).