3-[2-(diethylamino)ethyl]-5-propan-2-ylimidazolidin-4-one

C12H25N3O — CID 83240107

IUPAC3-[2-(diethylamino)ethyl]-5-propan-2-ylimidazolidin-4-one
SMILESCCN(CC)CCN1CNC(C(C)C)C1=O
InChIInChI=1S/C12H25N3O/c1-5-14(6-2)7-8-15-9-13-11(10(3)4)12(15)16/h10-11,13H,5-9H2,1-4H3
InChIKeyBEGUWKFOWPXPQR-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.74
Rot. Bonds6

About 3-[2-(diethylamino)ethyl]-5-propan-2-ylimidazolidin-4-one

3-[2-(diethylamino)ethyl]-5-propan-2-ylimidazolidin-4-one (PubChem CID 83240107) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl]-5-propan-2-ylimidazolidin-4-one
PubChem CID83240107
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-[2-(diethylamino)ethyl]-5-propan-2-ylimidazolidin-4-one
SMILESCCN(CC)CCN1CNC(C(C)C)C1=O
InChIInChI=1S/C12H25N3O/c1-5-14(6-2)7-8-15-9-13-11(10(3)4)12(15)16/h10-11,13H,5-9H2,1-4H3
InChIKeyBEGUWKFOWPXPQR-UHFFFAOYSA-N
XLogP0.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(diethylamino)ethyl]-5-propan-2-ylimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-butan-2-yl-3-[2-(diethylamino)ethyl]imidazolidin-4-one
CID 83239659
3-hexyl-5-propan-2-ylimidazolidin-4-one
CID 83263616
3-(2-cyclopropylethyl)-5-propan-2-ylimidazolidin-4-one
CID 83258288
3-(4-methylpentyl)-5-propan-2-ylimidazolidin-4-one
CID 83257837
3-[2-(2-methoxyethoxy)ethyl]-5-propan-2-ylimidazolidin-4-one
CID 83245268
3-[2-(oxolan-2-yl)ethyl]-5-propan-2-ylimidazolidin-4-one
CID 83249516
3-(2-cyclohexyloxyethyl)-5-propan-2-ylimidazolidin-4-one
CID 83263545
5-propan-2-yl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one
CID 83259518
3-[2-[di(propan-2-yl)amino]ethyl]-5-ethylimidazolidin-4-one
CID 83237576
3-[2-(dimethylamino)ethyl]-5-ethylimidazolidin-4-one
CID 83251000
(5S)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one
CID 124510324
3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83256131

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl]-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-[2-(diethylamino)ethyl]-5-propan-2-ylimidazolidin-4-one (CID 83240107) is 3-[2-(diethylamino)ethyl]-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-[2-(diethylamino)ethyl]-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-[2-(diethylamino)ethyl]-5-propan-2-ylimidazolidin-4-one is CCN(CC)CCN1CNC(C(C)C)C1=O.
What is the InChIKey of 3-[2-(diethylamino)ethyl]-5-propan-2-ylimidazolidin-4-one?
The InChIKey is BEGUWKFOWPXPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-5-14(6-2)7-8-15-9-13-11(10(3)4)12(15)16/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 3-[2-(diethylamino)ethyl]-5-propan-2-ylimidazolidin-4-one?
3-[2-(diethylamino)ethyl]-5-propan-2-ylimidazolidin-4-one has a molecular weight of 227.35 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl]-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83240107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).