[2-(dimethylamino)ethyl][(1-ethylpyrrolidin-2-yl)methyl]amine

• ChemBase ID: 267343
• Molecular Formular: C11H25N3
• Molecular Mass: 199.3363
• Monoisotopic Mass: 199.20484782
• SMILES: N1(C(CNCCN(C)C)CCC1)CC
• Canonical SMILES: CCN1CCCC1CNCCN(C)C
• InChI: InChI=1S/C11H25N3/c1-4-14-8-5-6-11(14)10-12-7-9-13(2)3/h11-12H,4-10H2,1-3H3
• InChIKey: ZMVVDZONFGZUNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(dimethylamino)ethyl][(1-ethylpyrrolidin-2-yl)methyl]amine
• IUPAC Traditional name: [2-(dimethylamino)ethyl][(1-ethylpyrrolidin-2-yl)methyl]amine
• Synonyms: [2-(dimethylamino)ethyl][(1-ethylpyrrolidin-2-yl)methyl]amine

Database IDs

• MDL Number: MFCD11153901
• PubChem SID: 164323253
• PubChem CID: 43180027

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.514768
• LogD (pH = 7.4): -2.5244756
• Log P: 0.66678303
• Molar Refractivity: 62.6914 cm^3
• Polarizability: 24.87069 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.629

Product Information

• Purity: 95%