1-(ethylamino)-1-(1-methylpyrrolidin-3-yl)butan-2-one

C11H22N2O — CID 177155976

IUPAC1-(ethylamino)-1-(1-methylpyrrolidin-3-yl)butan-2-one
SMILESCCNC(C(=O)CC)C1CCN(C)C1
InChIInChI=1S/C11H22N2O/c1-4-10(14)11(12-5-2)9-6-7-13(3)8-9/h9,11-12H,4-8H2,1-3H3
InChIKeyXFLNSNULHXUONQ-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.90
Rot. Bonds5

About 1-(ethylamino)-1-(1-methylpyrrolidin-3-yl)butan-2-one

1-(ethylamino)-1-(1-methylpyrrolidin-3-yl)butan-2-one (PubChem CID 177155976) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(ethylamino)-1-(1-methylpyrrolidin-3-yl)butan-2-one.

Molecular Properties

Compound Name1-(ethylamino)-1-(1-methylpyrrolidin-3-yl)butan-2-one
PubChem CID177155976
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(ethylamino)-1-(1-methylpyrrolidin-3-yl)butan-2-one
SMILESCCNC(C(=O)CC)C1CCN(C)C1
InChIInChI=1S/C11H22N2O/c1-4-10(14)11(12-5-2)9-6-7-13(3)8-9/h9,11-12H,4-8H2,1-3H3
InChIKeyXFLNSNULHXUONQ-UHFFFAOYSA-N
XLogP0.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(ethylamino)-1-(1-methylpyrrolidin-3-yl)butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(ethylamino)-1-(1-methylpiperidin-4-yl)pentan-3-one
CID 71154625
2-(ethylamino)-2-(1-methylpiperidin-3-yl)ethanol
CID 116859371
3-amino-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide
CID 116850731
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(1-methylpyrrolidin-3-yl)acetic acid
CID 84709491
2-(methylamino)-2-(1-methylpiperidin-3-yl)acetic acid
CID 83483250
ethyl 4-[2-(ethylamino)-3-oxopentyl]piperidine-1-carboxylate
CID 71154690
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395
2-(ethylamino)-3-(1-methylpiperidin-3-yl)propanoic acid
CID 83983014
1-(4,4-dimethylcyclohexyl)-2-(ethylamino)pentan-3-one
CID 71154495
4-(dimethylamino)-4-(1-methylpyrrolidin-3-yl)butan-2-one
CID 116910588
methyl 3-(cyclopropylamino)-2-(1-methylpyrrolidin-3-yl)propanoate
CID 117238066
(2S)-2-(ethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-sulfanylpropan-1-one
CID 87956704

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-1-(1-methylpyrrolidin-3-yl)butan-2-one?
The IUPAC name of 1-(ethylamino)-1-(1-methylpyrrolidin-3-yl)butan-2-one (CID 177155976) is 1-(ethylamino)-1-(1-methylpyrrolidin-3-yl)butan-2-one.
What is the SMILES notation for 1-(ethylamino)-1-(1-methylpyrrolidin-3-yl)butan-2-one?
The canonical SMILES for 1-(ethylamino)-1-(1-methylpyrrolidin-3-yl)butan-2-one is CCNC(C(=O)CC)C1CCN(C)C1.
What is the InChIKey of 1-(ethylamino)-1-(1-methylpyrrolidin-3-yl)butan-2-one?
The InChIKey is XFLNSNULHXUONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-10(14)11(12-5-2)9-6-7-13(3)8-9/h9,11-12H,4-8H2,1-3H3.
What are the key properties of 1-(ethylamino)-1-(1-methylpyrrolidin-3-yl)butan-2-one?
1-(ethylamino)-1-(1-methylpyrrolidin-3-yl)butan-2-one has a molecular weight of 198.31 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-1-(1-methylpyrrolidin-3-yl)butan-2-one is sourced from PubChem (CID 177155976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).