3-(3-ethylpentan-2-yl)-2-propylimidazolidin-4-one

C13H26N2O — CID 83258011

IUPAC3-(3-ethylpentan-2-yl)-2-propylimidazolidin-4-one
SMILESCCCC1NCC(=O)N1C(C)C(CC)CC
InChIInChI=1S/C13H26N2O/c1-5-8-12-14-9-13(16)15(12)10(4)11(6-2)7-3/h10-12,14H,5-9H2,1-4H3
InChIKeyBDMYHKXWSTWXRD-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.37
Rot. Bonds6

About 3-(3-ethylpentan-2-yl)-2-propylimidazolidin-4-one

3-(3-ethylpentan-2-yl)-2-propylimidazolidin-4-one (PubChem CID 83258011) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-(3-ethylpentan-2-yl)-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3-ethylpentan-2-yl)-2-propylimidazolidin-4-one
PubChem CID83258011
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-(3-ethylpentan-2-yl)-2-propylimidazolidin-4-one
SMILESCCCC1NCC(=O)N1C(C)C(CC)CC
InChIInChI=1S/C13H26N2O/c1-5-8-12-14-9-13(16)15(12)10(4)11(6-2)7-3/h10-12,14H,5-9H2,1-4H3
InChIKeyBDMYHKXWSTWXRD-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83242214
3-(4-methoxybutan-2-yl)-2-propylimidazolidin-4-one
CID 83259409
3-(1-methoxypentan-2-yl)-2-propylimidazolidin-4-one
CID 83263990
3-(3-ethylpentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83258173
3-methyl-2-propylimidazolidin-4-one
CID 83259789
2-ethyl-3-hexan-3-ylimidazolidin-4-one
CID 83252525
2-(2,5-dimethylphenyl)-3-(3-ethylpentan-2-yl)imidazolidin-4-one
CID 83262876
1-(3-ethylpentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64971646
3-heptan-2-yl-2-(2-methylpropyl)imidazolidin-4-one
CID 83253857
3-(2-methylsulfanylethyl)-2-propylimidazolidin-4-one
CID 83257532
3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one
CID 83255892
2-(2-methylpropyl)-3-octan-4-ylimidazolidin-4-one
CID 106021540

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpentan-2-yl)-2-propylimidazolidin-4-one?
The IUPAC name of 3-(3-ethylpentan-2-yl)-2-propylimidazolidin-4-one (CID 83258011) is 3-(3-ethylpentan-2-yl)-2-propylimidazolidin-4-one.
What is the SMILES notation for 3-(3-ethylpentan-2-yl)-2-propylimidazolidin-4-one?
The canonical SMILES for 3-(3-ethylpentan-2-yl)-2-propylimidazolidin-4-one is CCCC1NCC(=O)N1C(C)C(CC)CC.
What is the InChIKey of 3-(3-ethylpentan-2-yl)-2-propylimidazolidin-4-one?
The InChIKey is BDMYHKXWSTWXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-8-12-14-9-13(16)15(12)10(4)11(6-2)7-3/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 3-(3-ethylpentan-2-yl)-2-propylimidazolidin-4-one?
3-(3-ethylpentan-2-yl)-2-propylimidazolidin-4-one has a molecular weight of 226.36 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpentan-2-yl)-2-propylimidazolidin-4-one is sourced from PubChem (CID 83258011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).