1-(2-ethyl-4-methylpyrrolidin-1-yl)-4-(methylamino)butan-1-one

C12H24N2O — CID 119791886

IUPAC1-(2-ethyl-4-methylpyrrolidin-1-yl)-4-(methylamino)butan-1-one
SMILESCCC1CC(C)CN1C(=O)CCCNC
InChIInChI=1S/C12H24N2O/c1-4-11-8-10(2)9-14(11)12(15)6-5-7-13-3/h10-11,13H,4-9H2,1-3H3
InChIKeyJFEQUNHQMKNMCE-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.63
Rot. Bonds5

About 1-(2-ethyl-4-methylpyrrolidin-1-yl)-4-(methylamino)butan-1-one

1-(2-ethyl-4-methylpyrrolidin-1-yl)-4-(methylamino)butan-1-one (PubChem CID 119791886) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(2-ethyl-4-methylpyrrolidin-1-yl)-4-(methylamino)butan-1-one.

Molecular Properties

Compound Name1-(2-ethyl-4-methylpyrrolidin-1-yl)-4-(methylamino)butan-1-one
PubChem CID119791886
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(2-ethyl-4-methylpyrrolidin-1-yl)-4-(methylamino)butan-1-one
SMILESCCC1CC(C)CN1C(=O)CCCNC
InChIInChI=1S/C12H24N2O/c1-4-11-8-10(2)9-14(11)12(15)6-5-7-13-3/h10-11,13H,4-9H2,1-3H3
InChIKeyJFEQUNHQMKNMCE-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethylpiperidin-1-yl)-4-(methylamino)butan-1-one;hydrochloride
CID 119671954
1-[(2R,4S)-2-ethyl-4-methylpyrrolidin-1-yl]-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone
CID 96522709
1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone
CID 71865586
1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one
CID 131036550
propan-2-yl 2-ethyl-4-methylpyrrolidine-1-carboxylate
CID 143813112
(2S,4S)-4-hydroxy-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxylic acid
CID 64712518
1-(2,5-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one
CID 60842405
3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one
CID 120610961
4-(methylamino)-1-(4-methylpiperidin-1-yl)butan-1-one
CID 60649292
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-4-(methylamino)butanamide;dihydrochloride
CID 119863420
4-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one
CID 60841501
1-(2,5-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one;hydrochloride
CID 119729187

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-methylpyrrolidin-1-yl)-4-(methylamino)butan-1-one?
The IUPAC name of 1-(2-ethyl-4-methylpyrrolidin-1-yl)-4-(methylamino)butan-1-one (CID 119791886) is 1-(2-ethyl-4-methylpyrrolidin-1-yl)-4-(methylamino)butan-1-one.
What is the SMILES notation for 1-(2-ethyl-4-methylpyrrolidin-1-yl)-4-(methylamino)butan-1-one?
The canonical SMILES for 1-(2-ethyl-4-methylpyrrolidin-1-yl)-4-(methylamino)butan-1-one is CCC1CC(C)CN1C(=O)CCCNC.
What is the InChIKey of 1-(2-ethyl-4-methylpyrrolidin-1-yl)-4-(methylamino)butan-1-one?
The InChIKey is JFEQUNHQMKNMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-11-8-10(2)9-14(11)12(15)6-5-7-13-3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 1-(2-ethyl-4-methylpyrrolidin-1-yl)-4-(methylamino)butan-1-one?
1-(2-ethyl-4-methylpyrrolidin-1-yl)-4-(methylamino)butan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-methylpyrrolidin-1-yl)-4-(methylamino)butan-1-one is sourced from PubChem (CID 119791886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).