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

C13H27N3O — CID 83251512

IUPAC3-[2-(dimethylamino)ethyl]-2-ethyl-5-(2-methylpropyl)imidazolidin-4-one
SMILESCCC1NC(CC(C)C)C(=O)N1CCN(C)C
InChIInChI=1S/C13H27N3O/c1-6-12-14-11(9-10(2)3)13(17)16(12)8-7-15(4)5/h10-12,14H,6-9H2,1-5H3
InChIKeyPSZSHNUSYQUJNP-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.13
Rot. Bonds6

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

3-[2-(dimethylamino)ethyl]-2-ethyl-5-(2-methylpropyl)imidazolidin-4-one (PubChem CID 83251512) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-2-ethyl-5-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-2-ethyl-5-(2-methylpropyl)imidazolidin-4-one
PubChem CID83251512
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-[2-(dimethylamino)ethyl]-2-ethyl-5-(2-methylpropyl)imidazolidin-4-one
SMILESCCC1NC(CC(C)C)C(=O)N1CCN(C)C
InChIInChI=1S/C13H27N3O/c1-6-12-14-11(9-10(2)3)13(17)16(12)8-7-15(4)5/h10-12,14H,6-9H2,1-5H3
InChIKeyPSZSHNUSYQUJNP-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-2-ethyl-5-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-2-ethyl-5-(2-methylpropyl)imidazolidin-4-one (CID 83251512) is 3-[2-(dimethylamino)ethyl]-2-ethyl-5-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-2-ethyl-5-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-2-ethyl-5-(2-methylpropyl)imidazolidin-4-one is CCC1NC(CC(C)C)C(=O)N1CCN(C)C.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-2-ethyl-5-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is PSZSHNUSYQUJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-6-12-14-11(9-10(2)3)13(17)16(12)8-7-15(4)5/h10-12,14H,6-9H2,1-5H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-2-ethyl-5-(2-methylpropyl)imidazolidin-4-one?
3-[2-(dimethylamino)ethyl]-2-ethyl-5-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 241.38 g/mol, XLogP of 1.13, 6 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-ethyl-5-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83251512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).