2-imidazol-1-yl-3,5-dimethylcyclohexan-1-amine

C11H19N3 — CID 64752364

IUPAC2-imidazol-1-yl-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)C(n2ccnc2)C(N)C1
InChIInChI=1S/C11H19N3/c1-8-5-9(2)11(10(12)6-8)14-4-3-13-7-14/h3-4,7-11H,5-6,12H2,1-2H3
InChIKeyLXFPCWLCNOXMEJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.82
Rot. Bonds1

About 2-imidazol-1-yl-3,5-dimethylcyclohexan-1-amine

2-imidazol-1-yl-3,5-dimethylcyclohexan-1-amine (PubChem CID 64752364) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-imidazol-1-yl-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-imidazol-1-yl-3,5-dimethylcyclohexan-1-amine
PubChem CID64752364
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-imidazol-1-yl-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)C(n2ccnc2)C(N)C1
InChIInChI=1S/C11H19N3/c1-8-5-9(2)11(10(12)6-8)14-4-3-13-7-14/h3-4,7-11H,5-6,12H2,1-2H3
InChIKeyLXFPCWLCNOXMEJ-UHFFFAOYSA-N
XLogP1.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-imidazol-1-yl-3,5-dimethylcyclohexan-1-amine (CID 64752364) is 2-imidazol-1-yl-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-imidazol-1-yl-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-imidazol-1-yl-3,5-dimethylcyclohexan-1-amine is CC1CC(C)C(n2ccnc2)C(N)C1.
What is the InChIKey of 2-imidazol-1-yl-3,5-dimethylcyclohexan-1-amine?
The InChIKey is LXFPCWLCNOXMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8-5-9(2)11(10(12)6-8)14-4-3-13-7-14/h3-4,7-11H,5-6,12H2,1-2H3.
What are the key properties of 2-imidazol-1-yl-3,5-dimethylcyclohexan-1-amine?
2-imidazol-1-yl-3,5-dimethylcyclohexan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64752364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).