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

C8H17N3O — CID 124510324

IUPAC(5S)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one
SMILESC[C@@H]1NCN(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/t7-/m0/s1
InChIKeyQEHUQVCNWYOKPR-ZETCQYMHSA-N
MW171.24 g/mol
LogP-0.67
Rot. Bonds3

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

(5S)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one (PubChem CID 124510324) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is (5S)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name(5S)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one
PubChem CID124510324
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name(5S)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one
SMILESC[C@@H]1NCN(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/t7-/m0/s1
InChIKeyQEHUQVCNWYOKPR-ZETCQYMHSA-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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Related Compounds

3-[2-(dimethylamino)ethyl]-5-ethylimidazolidin-4-one
CID 83251000
3-[2-(dimethylamino)ethyl]-5-propylimidazolidin-4-one
CID 83251427
3-(2-cyclohexyloxyethyl)-5-methylimidazolidin-4-one
CID 83263542
3-[2-(2-methoxyethoxy)ethyl]-5-methylimidazolidin-4-one
CID 83256580
3-(2-butoxyethyl)-5-methylimidazolidin-4-one
CID 83253163
(5S)-3,5-dimethylimidazolidin-4-one
CID 12794136
5-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]imidazolidin-4-one
CID 83255711
1-[3-(dimethylamino)propyl]-3-methyl-1,4-diazepane-2,5-dione
CID 64960108
3,5-dimethylimidazolidin-4-one;methanol
CID 143342148
3-[4-(dimethylamino)butyl]-5-phenylimidazolidin-4-one
CID 83246148
3-[2-(diethylamino)ethyl]-5-propan-2-ylimidazolidin-4-one
CID 83240107
3-[2-[di(propan-2-yl)amino]ethyl]-5-ethylimidazolidin-4-one
CID 83237576

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one?
The IUPAC name of (5S)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one (CID 124510324) is (5S)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one.
What is the SMILES notation for (5S)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one?
The canonical SMILES for (5S)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one is C[C@@H]1NCN(CCN(C)C)C1=O.
What is the InChIKey of (5S)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one?
The InChIKey is QEHUQVCNWYOKPR-ZETCQYMHSA-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/t7-/m0/s1.
What are the key properties of (5S)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one?
(5S)-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 (5S)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one is sourced from PubChem (CID 124510324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).