2-{[(1-ethylpyrrolidin-2-yl)methyl]amino}-N,N-dimethylacetamide

• ChemBase ID: 267259
• Molecular Formular: C11H23N3O
• Molecular Mass: 213.31982
• Monoisotopic Mass: 213.18411237
• SMILES: N1(C(CNCC(=O)N(C)C)CCC1)CC
• Canonical SMILES: CCN1CCCC1CNCC(=O)N(C)C
• InChI: InChI=1S/C11H23N3O/c1-4-14-7-5-6-10(14)8-12-9-11(15)13(2)3/h10,12H,4-9H2,1-3H3
• InChIKey: YBQBTVSSJOXAQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(1-ethylpyrrolidin-2-yl)methyl]amino}-N,N-dimethylacetamide
• IUPAC Traditional name: 2-{[(1-ethylpyrrolidin-2-yl)methyl]amino}-N,N-dimethylacetamide
• Synonyms: 2-{[(1-ethylpyrrolidin-2-yl)methyl]amino}-N,N-dimethylacetamide

Database IDs

• MDL Number: MFCD11153900
• PubChem SID: 164323169
• PubChem CID: 43180026

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4739203
• LogD (pH = 7.4): -1.8325464
• Log P: -0.23346864
• Molar Refractivity: 62.3725 cm^3
• Polarizability: 24.521858 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.813

Product Information

• Purity: 95%