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

C8H17N3O — CID 83250404

IUPAC3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one
SMILESCC1NCN(CCN(C)C)C1=O
InChIInChI=1S/C8H17N3O/c1-7-8(12)11(6-9-7)5-4-10(2)3/h7,9H,4-6H2,1-3H3
InChIKeyQEHUQVCNWYOKPR-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.67
Rot. Bonds3

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

3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one (PubChem CID 83250404) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one
PubChem CID83250404
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one
SMILESCC1NCN(CCN(C)C)C1=O
InChIInChI=1S/C8H17N3O/c1-7-8(12)11(6-9-7)5-4-10(2)3/h7,9H,4-6H2,1-3H3
InChIKeyQEHUQVCNWYOKPR-UHFFFAOYSA-N
XLogP-0.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.67
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]-5-methylimidazolidin-4-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one (CID 83250404) is 3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one is CC1NCN(CCN(C)C)C1=O.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one?
The InChIKey is QEHUQVCNWYOKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-7-8(12)11(6-9-7)5-4-10(2)3/h7,9H,4-6H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one?
3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one has a molecular weight of 171.24 g/mol, XLogP of -0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one is sourced from PubChem (CID 83250404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).