2-(dimethylamino)-N-[2-(pyrrolidin-2-yl)ethyl]acetamide

• ChemBase ID: 62148
• Molecular Formular: C10H21N3O
• Molecular Mass: 199.29324
• Monoisotopic Mass: 199.16846231
• SMILES: C(=O)(NCCC1NCCC1)CN(C)C
• Canonical SMILES: CN(CC(=O)NCCC1CCCN1)C
• InChI: InChI=1S/C10H21N3O/c1-13(2)8-10(14)12-7-5-9-4-3-6-11-9/h9,11H,3-8H2,1-2H3,(H,12,14)
• InChIKey: MPITVBBQNXKFQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-N-[2-(pyrrolidin-2-yl)ethyl]acetamide
• IUPAC Traditional name: 2-(dimethylamino)-N-[2-(pyrrolidin-2-yl)ethyl]acetamide
• Synonyms: 2-Dimethylamino-N-(2-pyrrolidin-2-yl-ethyl)-acetamide

Database IDs

• MDL Number: MFCD16621935
• PubChem SID: 162027887
• PubChem CID: 66509636

CALCULATED PROPERTIES

• Acid pKa: 16.072758
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.9877396
• LogD (pH = 7.4): -4.2561345
• Log P: -0.7539929
• Molar Refractivity: 57.5926 cm^3
• Polarizability: 22.680025 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false