3-[2-(dimethylamino)ethyl]-2-methyl-5-(2-methylpropyl)imidazolidin-4-one

C12H25N3O — CID 83251594

IUPAC3-[2-(dimethylamino)ethyl]-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)CC1NC(C)N(CCN(C)C)C1=O
InChIInChI=1S/C12H25N3O/c1-9(2)8-11-12(16)15(10(3)13-11)7-6-14(4)5/h9-11,13H,6-8H2,1-5H3
InChIKeyCLIHIIKYVWDSCX-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.74
Rot. Bonds5

About 3-[2-(dimethylamino)ethyl]-2-methyl-5-(2-methylpropyl)imidazolidin-4-one

3-[2-(dimethylamino)ethyl]-2-methyl-5-(2-methylpropyl)imidazolidin-4-one (PubChem CID 83251594) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-2-methyl-5-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
PubChem CID83251594
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-[2-(dimethylamino)ethyl]-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)CC1NC(C)N(CCN(C)C)C1=O
InChIInChI=1S/C12H25N3O/c1-9(2)8-11-12(16)15(10(3)13-11)7-6-14(4)5/h9-11,13H,6-8H2,1-5H3
InChIKeyCLIHIIKYVWDSCX-UHFFFAOYSA-N
XLogP0.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

2-methyl-3-[3-[methyl(propan-2-yl)amino]propyl]-5-(2-methylpropyl)imidazolidin-4-one
CID 106053028
3-[2-(dimethylamino)ethyl]-2-ethyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83251512
2-methyl-3-(4-methylpentyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83254538
2-methyl-5-(2-methylpropyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83257702
3-[3-(dimethylamino)propyl]-2-ethyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83250703
2-methyl-3-(2-methylbutyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83252090
3-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83260910
3-(2-methoxy-2-methylpropyl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
CID 104767800
2-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-5-(2-methylpropyl)imidazolidin-4-one
CID 83254714
2-methyl-3-[2-(3-methylcyclohexyl)ethyl]-5-(2-methylpropyl)imidazolidin-4-one
CID 83264269
3-(3-methoxy-2-methylpropyl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83250020
5-butyl-3-[3-(dimethylamino)propyl]-2-methylimidazolidin-4-one
CID 83251042

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-2-methyl-5-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-2-methyl-5-(2-methylpropyl)imidazolidin-4-one (CID 83251594) is 3-[2-(dimethylamino)ethyl]-2-methyl-5-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-2-methyl-5-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-2-methyl-5-(2-methylpropyl)imidazolidin-4-one is CC(C)CC1NC(C)N(CCN(C)C)C1=O.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-2-methyl-5-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is CLIHIIKYVWDSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(2)8-11-12(16)15(10(3)13-11)7-6-14(4)5/h9-11,13H,6-8H2,1-5H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-2-methyl-5-(2-methylpropyl)imidazolidin-4-one?
3-[2-(dimethylamino)ethyl]-2-methyl-5-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 227.35 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-2-methyl-5-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83251594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).