2-amino-5-(cyclohexylmethyl)-5-(methoxymethyl)-3-methylimidazol-4-one

C13H23N3O2 — CID 146766511

IUPAC2-amino-5-(cyclohexylmethyl)-5-(methoxymethyl)-3-methylimidazol-4-one
SMILESCOCC1(CC2CCCCC2)N=C(N)N(C)C1=O
InChIInChI=1S/C13H23N3O2/c1-16-11(17)13(9-18-2,15-12(16)14)8-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H2,14,15)
InChIKeyRQSMJEWOIAYQLK-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.13
Rot. Bonds4

About 2-amino-5-(cyclohexylmethyl)-5-(methoxymethyl)-3-methylimidazol-4-one

2-amino-5-(cyclohexylmethyl)-5-(methoxymethyl)-3-methylimidazol-4-one (PubChem CID 146766511) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-amino-5-(cyclohexylmethyl)-5-(methoxymethyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(cyclohexylmethyl)-5-(methoxymethyl)-3-methylimidazol-4-one
PubChem CID146766511
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-amino-5-(cyclohexylmethyl)-5-(methoxymethyl)-3-methylimidazol-4-one
SMILESCOCC1(CC2CCCCC2)N=C(N)N(C)C1=O
InChIInChI=1S/C13H23N3O2/c1-16-11(17)13(9-18-2,15-12(16)14)8-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H2,14,15)
InChIKeyRQSMJEWOIAYQLK-UHFFFAOYSA-N
XLogP1.13
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(cyclohexylmethyl)-5-(methoxymethyl)-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-(cyclohexylmethyl)-5-(methoxymethyl)-3-methylimidazol-4-one (CID 146766511) is 2-amino-5-(cyclohexylmethyl)-5-(methoxymethyl)-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(cyclohexylmethyl)-5-(methoxymethyl)-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-(cyclohexylmethyl)-5-(methoxymethyl)-3-methylimidazol-4-one is COCC1(CC2CCCCC2)N=C(N)N(C)C1=O.
What is the InChIKey of 2-amino-5-(cyclohexylmethyl)-5-(methoxymethyl)-3-methylimidazol-4-one?
The InChIKey is RQSMJEWOIAYQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-16-11(17)13(9-18-2,15-12(16)14)8-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H2,14,15).
What are the key properties of 2-amino-5-(cyclohexylmethyl)-5-(methoxymethyl)-3-methylimidazol-4-one?
2-amino-5-(cyclohexylmethyl)-5-(methoxymethyl)-3-methylimidazol-4-one has a molecular weight of 253.35 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(cyclohexylmethyl)-5-(methoxymethyl)-3-methylimidazol-4-one is sourced from PubChem (CID 146766511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).