2-ethyl-3-(3-ethylpentan-2-yl)-5-methylimidazolidin-4-one

C13H26N2O — CID 83257928

IUPAC2-ethyl-3-(3-ethylpentan-2-yl)-5-methylimidazolidin-4-one
SMILESCCC(CC)C(C)N1C(=O)C(C)NC1CC
InChIInChI=1S/C13H26N2O/c1-6-11(7-2)10(5)15-12(8-3)14-9(4)13(15)16/h9-12,14H,6-8H2,1-5H3
InChIKeyTXAHGCNCHQHAPP-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.37
Rot. Bonds5

About 2-ethyl-3-(3-ethylpentan-2-yl)-5-methylimidazolidin-4-one

2-ethyl-3-(3-ethylpentan-2-yl)-5-methylimidazolidin-4-one (PubChem CID 83257928) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-ethyl-3-(3-ethylpentan-2-yl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-ethyl-3-(3-ethylpentan-2-yl)-5-methylimidazolidin-4-one
PubChem CID83257928
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-ethyl-3-(3-ethylpentan-2-yl)-5-methylimidazolidin-4-one
SMILESCCC(CC)C(C)N1C(=O)C(C)NC1CC
InChIInChI=1S/C13H26N2O/c1-6-11(7-2)10(5)15-12(8-3)14-9(4)13(15)16/h9-12,14H,6-8H2,1-5H3
InChIKeyTXAHGCNCHQHAPP-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-cyclopentylethyl)-2-ethyl-5-methylimidazolidin-4-one
CID 83264545
3-cyclopropyl-2-ethyl-5-methylimidazolidin-4-one
CID 83242202
3-(1-cyclohexylpropyl)-5-methyl-2-propylimidazolidin-4-one
CID 83255425
3-ethyl-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83239439
3-(1-ethoxypropan-2-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83246924
2-cyclopentyl-3-(3-ethylpentan-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83262884
3-(3-ethylpentan-2-yl)-2-propylimidazolidin-4-one
CID 83258011
3,3-diethyl-1-(3-ethylpentan-2-yl)-6-methylpiperazine-2,5-dione
CID 64971742
5-ethyl-3-(3-methylpentan-2-yl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83246049
2-ethyl-3-(2-methylpentan-3-yl)-5-propylimidazolidin-4-one
CID 83245076
3-(2-ethoxyethyl)-2-ethyl-5-methylimidazolidin-4-one
CID 83237257
2-ethyl-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83257121

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(3-ethylpentan-2-yl)-5-methylimidazolidin-4-one?
The IUPAC name of 2-ethyl-3-(3-ethylpentan-2-yl)-5-methylimidazolidin-4-one (CID 83257928) is 2-ethyl-3-(3-ethylpentan-2-yl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 2-ethyl-3-(3-ethylpentan-2-yl)-5-methylimidazolidin-4-one?
The canonical SMILES for 2-ethyl-3-(3-ethylpentan-2-yl)-5-methylimidazolidin-4-one is CCC(CC)C(C)N1C(=O)C(C)NC1CC.
What is the InChIKey of 2-ethyl-3-(3-ethylpentan-2-yl)-5-methylimidazolidin-4-one?
The InChIKey is TXAHGCNCHQHAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-6-11(7-2)10(5)15-12(8-3)14-9(4)13(15)16/h9-12,14H,6-8H2,1-5H3.
What are the key properties of 2-ethyl-3-(3-ethylpentan-2-yl)-5-methylimidazolidin-4-one?
2-ethyl-3-(3-ethylpentan-2-yl)-5-methylimidazolidin-4-one has a molecular weight of 226.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(3-ethylpentan-2-yl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83257928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).