(1R)-1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethanamine

C13H23N3 — CID 104943263

IUPAC(1R)-1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethanamine
SMILESC[C@@H](N)c1cncn1C1CCC(C)(C)CC1
InChIInChI=1S/C13H23N3/c1-10(14)12-8-15-9-16(12)11-4-6-13(2,3)7-5-11/h8-11H,4-7,14H2,1-3H3/t10-/m1/s1
InChIKeyWXLHNKFNIPDVQK-SNVBAGLBSA-N
MW221.35 g/mol
LogP3.04
Rot. Bonds2

About (1R)-1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethanamine

(1R)-1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethanamine (PubChem CID 104943263) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (1R)-1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethanamine
PubChem CID104943263
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(1R)-1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethanamine
SMILESC[C@@H](N)c1cncn1C1CCC(C)(C)CC1
InChIInChI=1S/C13H23N3/c1-10(14)12-8-15-9-16(12)11-4-6-13(2,3)7-5-11/h8-11H,4-7,14H2,1-3H3/t10-/m1/s1
InChIKeyWXLHNKFNIPDVQK-SNVBAGLBSA-N
XLogP3.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethanamine (CID 104943263) is (1R)-1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethanamine is C[C@@H](N)c1cncn1C1CCC(C)(C)CC1.
What is the InChIKey of (1R)-1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethanamine?
The InChIKey is WXLHNKFNIPDVQK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(14)12-8-15-9-16(12)11-4-6-13(2,3)7-5-11/h8-11H,4-7,14H2,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethanamine?
(1R)-1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethanamine has a molecular weight of 221.35 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104943263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).