N-(3,3-dimethylcyclohexyl)-1-(2-methylpropyl)imidazol-2-amine

C15H27N3 — CID 106577701

IUPACN-(3,3-dimethylcyclohexyl)-1-(2-methylpropyl)imidazol-2-amine
SMILESCC(C)Cn1ccnc1NC1CCCC(C)(C)C1
InChIInChI=1S/C15H27N3/c1-12(2)11-18-9-8-16-14(18)17-13-6-5-7-15(3,4)10-13/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,16,17)
InChIKeyZXOGWUPZYVYROY-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.92
Rot. Bonds4

About N-(3,3-dimethylcyclohexyl)-1-(2-methylpropyl)imidazol-2-amine

N-(3,3-dimethylcyclohexyl)-1-(2-methylpropyl)imidazol-2-amine (PubChem CID 106577701) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-(3,3-dimethylcyclohexyl)-1-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclohexyl)-1-(2-methylpropyl)imidazol-2-amine
PubChem CID106577701
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-(3,3-dimethylcyclohexyl)-1-(2-methylpropyl)imidazol-2-amine
SMILESCC(C)Cn1ccnc1NC1CCCC(C)(C)C1
InChIInChI=1S/C15H27N3/c1-12(2)11-18-9-8-16-14(18)17-13-6-5-7-15(3,4)10-13/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,16,17)
InChIKeyZXOGWUPZYVYROY-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 N-(3,3-dimethylcyclohexyl)-1-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of N-(3,3-dimethylcyclohexyl)-1-(2-methylpropyl)imidazol-2-amine (CID 106577701) is N-(3,3-dimethylcyclohexyl)-1-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for N-(3,3-dimethylcyclohexyl)-1-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for N-(3,3-dimethylcyclohexyl)-1-(2-methylpropyl)imidazol-2-amine is CC(C)Cn1ccnc1NC1CCCC(C)(C)C1.
What is the InChIKey of N-(3,3-dimethylcyclohexyl)-1-(2-methylpropyl)imidazol-2-amine?
The InChIKey is ZXOGWUPZYVYROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12(2)11-18-9-8-16-14(18)17-13-6-5-7-15(3,4)10-13/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,16,17).
What are the key properties of N-(3,3-dimethylcyclohexyl)-1-(2-methylpropyl)imidazol-2-amine?
N-(3,3-dimethylcyclohexyl)-1-(2-methylpropyl)imidazol-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclohexyl)-1-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106577701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).