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

C12H21N3O — CID 59387876

IUPAC(5R)-2-amino-5-(cyclohexylmethyl)-3,5-dimethylimidazol-4-one
SMILESCN1C(=O)[C@@](C)(CC2CCCCC2)N=C1N
InChIInChI=1S/C12H21N3O/c1-12(8-9-6-4-3-5-7-9)10(16)15(2)11(13)14-12/h9H,3-8H2,1-2H3,(H2,13,14)/t12-/m1/s1
InChIKeyOXQXOPLVMPOJOX-GFCCVEGCSA-N
MW223.32 g/mol
LogP1.50
Rot. Bonds2

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

(5R)-2-amino-5-(cyclohexylmethyl)-3,5-dimethylimidazol-4-one (PubChem CID 59387876) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (5R)-2-amino-5-(cyclohexylmethyl)-3,5-dimethylimidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-(cyclohexylmethyl)-3,5-dimethylimidazol-4-one
PubChem CID59387876
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(5R)-2-amino-5-(cyclohexylmethyl)-3,5-dimethylimidazol-4-one
SMILESCN1C(=O)[C@@](C)(CC2CCCCC2)N=C1N
InChIInChI=1S/C12H21N3O/c1-12(8-9-6-4-3-5-7-9)10(16)15(2)11(13)14-12/h9H,3-8H2,1-2H3,(H2,13,14)/t12-/m1/s1
InChIKeyOXQXOPLVMPOJOX-GFCCVEGCSA-N
XLogP1.50
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.50
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-(cyclohexylmethyl)-3,5-dimethylimidazol-4-one?
The IUPAC name of (5R)-2-amino-5-(cyclohexylmethyl)-3,5-dimethylimidazol-4-one (CID 59387876) is (5R)-2-amino-5-(cyclohexylmethyl)-3,5-dimethylimidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-(cyclohexylmethyl)-3,5-dimethylimidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-(cyclohexylmethyl)-3,5-dimethylimidazol-4-one is CN1C(=O)[C@@](C)(CC2CCCCC2)N=C1N.
What is the InChIKey of (5R)-2-amino-5-(cyclohexylmethyl)-3,5-dimethylimidazol-4-one?
The InChIKey is OXQXOPLVMPOJOX-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(8-9-6-4-3-5-7-9)10(16)15(2)11(13)14-12/h9H,3-8H2,1-2H3,(H2,13,14)/t12-/m1/s1.
What are the key properties of (5R)-2-amino-5-(cyclohexylmethyl)-3,5-dimethylimidazol-4-one?
(5R)-2-amino-5-(cyclohexylmethyl)-3,5-dimethylimidazol-4-one has a molecular weight of 223.32 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-(cyclohexylmethyl)-3,5-dimethylimidazol-4-one is sourced from PubChem (CID 59387876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).