5-(2-methoxy-2-methylpropyl)-2-propyliminoimidazolidin-4-one

C11H21N3O2 — CID 136766553

IUPAC5-(2-methoxy-2-methylpropyl)-2-propyliminoimidazolidin-4-one
SMILESCCC/N=C1\NC(=O)C(CC(C)(C)OC)N1
InChIInChI=1S/C11H21N3O2/c1-5-6-12-10-13-8(9(15)14-10)7-11(2,3)16-4/h8H,5-7H2,1-4H3,(H2,12,13,14,15)
InChIKeyFDFUHPGYTRJKHD-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.66
Rot. Bonds5

About 5-(2-methoxy-2-methylpropyl)-2-propyliminoimidazolidin-4-one

5-(2-methoxy-2-methylpropyl)-2-propyliminoimidazolidin-4-one (PubChem CID 136766553) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-(2-methoxy-2-methylpropyl)-2-propyliminoimidazolidin-4-one.

Molecular Properties

Compound Name5-(2-methoxy-2-methylpropyl)-2-propyliminoimidazolidin-4-one
PubChem CID136766553
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name5-(2-methoxy-2-methylpropyl)-2-propyliminoimidazolidin-4-one
SMILESCCC/N=C1\NC(=O)C(CC(C)(C)OC)N1
InChIInChI=1S/C11H21N3O2/c1-5-6-12-10-13-8(9(15)14-10)7-11(2,3)16-4/h8H,5-7H2,1-4H3,(H2,12,13,14,15)
InChIKeyFDFUHPGYTRJKHD-UHFFFAOYSA-N
XLogP0.66
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-2-methylpropyl)-2-propyliminoimidazolidin-4-one?
The IUPAC name of 5-(2-methoxy-2-methylpropyl)-2-propyliminoimidazolidin-4-one (CID 136766553) is 5-(2-methoxy-2-methylpropyl)-2-propyliminoimidazolidin-4-one.
What is the SMILES notation for 5-(2-methoxy-2-methylpropyl)-2-propyliminoimidazolidin-4-one?
The canonical SMILES for 5-(2-methoxy-2-methylpropyl)-2-propyliminoimidazolidin-4-one is CCC/N=C1\NC(=O)C(CC(C)(C)OC)N1.
What is the InChIKey of 5-(2-methoxy-2-methylpropyl)-2-propyliminoimidazolidin-4-one?
The InChIKey is FDFUHPGYTRJKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-5-6-12-10-13-8(9(15)14-10)7-11(2,3)16-4/h8H,5-7H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 5-(2-methoxy-2-methylpropyl)-2-propyliminoimidazolidin-4-one?
5-(2-methoxy-2-methylpropyl)-2-propyliminoimidazolidin-4-one has a molecular weight of 227.31 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-2-methylpropyl)-2-propyliminoimidazolidin-4-one is sourced from PubChem (CID 136766553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).