3-[2-[di(propan-2-yl)amino]ethyl]-5-ethylimidazolidin-4-one

C13H27N3O — CID 83237576

IUPAC3-[2-[di(propan-2-yl)amino]ethyl]-5-ethylimidazolidin-4-one
SMILESCCC1NCN(CCN(C(C)C)C(C)C)C1=O
InChIInChI=1S/C13H27N3O/c1-6-12-13(17)15(9-14-12)7-8-16(10(2)3)11(4)5/h10-12,14H,6-9H2,1-5H3
InChIKeyWTIXAAOPTIXCKO-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.27
Rot. Bonds6

About 3-[2-[di(propan-2-yl)amino]ethyl]-5-ethylimidazolidin-4-one

3-[2-[di(propan-2-yl)amino]ethyl]-5-ethylimidazolidin-4-one (PubChem CID 83237576) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-[2-[di(propan-2-yl)amino]ethyl]-5-ethylimidazolidin-4-one.

Molecular Properties

Compound Name3-[2-[di(propan-2-yl)amino]ethyl]-5-ethylimidazolidin-4-one
PubChem CID83237576
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-[2-[di(propan-2-yl)amino]ethyl]-5-ethylimidazolidin-4-one
SMILESCCC1NCN(CCN(C(C)C)C(C)C)C1=O
InChIInChI=1S/C13H27N3O/c1-6-12-13(17)15(9-14-12)7-8-16(10(2)3)11(4)5/h10-12,14H,6-9H2,1-5H3
InChIKeyWTIXAAOPTIXCKO-UHFFFAOYSA-N
XLogP1.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(dimethylamino)ethyl]-5-ethylimidazolidin-4-one
CID 83251000
3-butyl-5-ethylimidazolidin-4-one
CID 83238020
5-ethyl-3-(2-methoxyethyl)imidazolidin-4-one
CID 83242628
5-ethyl-3-(3-methyl-2-propan-2-ylbutyl)imidazolidin-4-one
CID 102916025
3-[2-(dimethylamino)ethyl]-5-propylimidazolidin-4-one
CID 83251427
5-ethyl-3-(3-methoxy-2-methylpropyl)imidazolidin-4-one
CID 83249714
3-[4-[methyl(propan-2-yl)amino]butyl]-5-propylimidazolidin-4-one
CID 83248232
3-(cyclopropylmethyl)-5-ethylimidazolidin-4-one
CID 83250904
1-[2-[di(propan-2-yl)amino]ethyl]imidazolidin-2-one
CID 115370405
3-(3-methylbutyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83238290
3-[2-(diethylamino)ethyl]-5-propan-2-ylimidazolidin-4-one
CID 83240107
3-[4-(dimethylamino)butan-2-yl]-5-ethylimidazolidin-4-one
CID 83248683

Frequently Asked Questions

What is the IUPAC name of 3-[2-[di(propan-2-yl)amino]ethyl]-5-ethylimidazolidin-4-one?
The IUPAC name of 3-[2-[di(propan-2-yl)amino]ethyl]-5-ethylimidazolidin-4-one (CID 83237576) is 3-[2-[di(propan-2-yl)amino]ethyl]-5-ethylimidazolidin-4-one.
What is the SMILES notation for 3-[2-[di(propan-2-yl)amino]ethyl]-5-ethylimidazolidin-4-one?
The canonical SMILES for 3-[2-[di(propan-2-yl)amino]ethyl]-5-ethylimidazolidin-4-one is CCC1NCN(CCN(C(C)C)C(C)C)C1=O.
What is the InChIKey of 3-[2-[di(propan-2-yl)amino]ethyl]-5-ethylimidazolidin-4-one?
The InChIKey is WTIXAAOPTIXCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-6-12-13(17)15(9-14-12)7-8-16(10(2)3)11(4)5/h10-12,14H,6-9H2,1-5H3.
What are the key properties of 3-[2-[di(propan-2-yl)amino]ethyl]-5-ethylimidazolidin-4-one?
3-[2-[di(propan-2-yl)amino]ethyl]-5-ethylimidazolidin-4-one has a molecular weight of 241.38 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[di(propan-2-yl)amino]ethyl]-5-ethylimidazolidin-4-one is sourced from PubChem (CID 83237576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).