2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide

C11H21BrN2O — CID 107905439

IUPAC2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
SMILESCCN1CCCC1CN(C)C(=O)C(C)Br
InChIInChI=1S/C11H21BrN2O/c1-4-14-7-5-6-10(14)8-13(3)11(15)9(2)12/h9-10H,4-8H2,1-3H3
InChIKeyMMMXXWWBJJGHIQ-UHFFFAOYSA-N
MW277.21 g/mol
LogP1.71
Rot. Bonds4

About 2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide

2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide (PubChem CID 107905439) has the molecular formula C11H21BrN2O and a molecular weight of 277.21 g/mol. Its IUPAC name is 2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
PubChem CID107905439
Molecular FormulaC11H21BrN2O
Molecular Weight277.21 g/mol
Exact Mass276.08
IUPAC Name2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
SMILESCCN1CCCC1CN(C)C(=O)C(C)Br
InChIInChI=1S/C11H21BrN2O/c1-4-14-7-5-6-10(14)8-13(3)11(15)9(2)12/h9-10H,4-8H2,1-3H3
InChIKeyMMMXXWWBJJGHIQ-UHFFFAOYSA-N
XLogP1.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide 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

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide
CID 113248160
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 79312453
3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 79313879
(2R)-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 79315825
1-[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79314977
(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 79309506
1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclobutane-1-carboxamide
CID 81169352
(2R)-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 79312017
(2R)-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]butanoic acid
CID 79315607
2-(azetidin-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide
CID 79314252
2-(aminomethyl)-2-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbutanamide
CID 79314285
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]pentanoic acid
CID 79315116

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide?
The IUPAC name of 2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide (CID 107905439) is 2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide is CCN1CCCC1CN(C)C(=O)C(C)Br.
What is the InChIKey of 2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide?
The InChIKey is MMMXXWWBJJGHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrN2O/c1-4-14-7-5-6-10(14)8-13(3)11(15)9(2)12/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide?
2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide has a molecular weight of 277.21 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 107905439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).