(5R)-2-amino-5-(2-cyclohexylethyl)-3,5-dimethylimidazol-4-one

C13H23N3O — CID 70141171

IUPAC(5R)-2-amino-5-(2-cyclohexylethyl)-3,5-dimethylimidazol-4-one
SMILESCN1C(=O)[C@@](C)(CCC2CCCCC2)N=C1N
InChIInChI=1S/C13H23N3O/c1-13(11(17)16(2)12(14)15-13)9-8-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H2,14,15)/t13-/m1/s1
InChIKeyHGAVYQREEJVSFJ-CYBMUJFWSA-N
MW237.35 g/mol
LogP1.89
Rot. Bonds3

About (5R)-2-amino-5-(2-cyclohexylethyl)-3,5-dimethylimidazol-4-one

(5R)-2-amino-5-(2-cyclohexylethyl)-3,5-dimethylimidazol-4-one (PubChem CID 70141171) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (5R)-2-amino-5-(2-cyclohexylethyl)-3,5-dimethylimidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-(2-cyclohexylethyl)-3,5-dimethylimidazol-4-one
PubChem CID70141171
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(5R)-2-amino-5-(2-cyclohexylethyl)-3,5-dimethylimidazol-4-one
SMILESCN1C(=O)[C@@](C)(CCC2CCCCC2)N=C1N
InChIInChI=1S/C13H23N3O/c1-13(11(17)16(2)12(14)15-13)9-8-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H2,14,15)/t13-/m1/s1
InChIKeyHGAVYQREEJVSFJ-CYBMUJFWSA-N
XLogP1.89
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-(2-cyclohexylethyl)-3,5-dimethylimidazol-4-one?
The IUPAC name of (5R)-2-amino-5-(2-cyclohexylethyl)-3,5-dimethylimidazol-4-one (CID 70141171) is (5R)-2-amino-5-(2-cyclohexylethyl)-3,5-dimethylimidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-(2-cyclohexylethyl)-3,5-dimethylimidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-(2-cyclohexylethyl)-3,5-dimethylimidazol-4-one is CN1C(=O)[C@@](C)(CCC2CCCCC2)N=C1N.
What is the InChIKey of (5R)-2-amino-5-(2-cyclohexylethyl)-3,5-dimethylimidazol-4-one?
The InChIKey is HGAVYQREEJVSFJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(11(17)16(2)12(14)15-13)9-8-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H2,14,15)/t13-/m1/s1.
What are the key properties of (5R)-2-amino-5-(2-cyclohexylethyl)-3,5-dimethylimidazol-4-one?
(5R)-2-amino-5-(2-cyclohexylethyl)-3,5-dimethylimidazol-4-one has a molecular weight of 237.35 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-(2-cyclohexylethyl)-3,5-dimethylimidazol-4-one is sourced from PubChem (CID 70141171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).