diethyl[2-(pyrrolidin-3-yloxy)ethyl]amine

• ChemBase ID: 285781
• Molecular Formular: C10H22N2O
• Molecular Mass: 186.29448
• Monoisotopic Mass: 186.17321333
• SMILES: N1CCC(OCCN(CC)CC)C1
• Canonical SMILES: CCN(CCOC1CNCC1)CC
• InChI: InChI=1S/C10H22N2O/c1-3-12(4-2)7-8-13-10-5-6-11-9-10/h10-11H,3-9H2,1-2H3
• InChIKey: YUEZSYRTENWHAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl[2-(pyrrolidin-3-yloxy)ethyl]amine
• IUPAC Traditional name: diethyl[2-(pyrrolidin-3-yloxy)ethyl]amine
• Synonyms: diethyl[2-(pyrrolidin-3-yloxy)ethyl]amine

Database IDs

• MDL Number: MFCD16709454
• PubChem SID: 180671312
• PubChem CID: 62327223

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.1530223
• LogD (pH = 7.4): -4.4168887
• Log P: 0.44060832
• Molar Refractivity: 55.8198 cm^3
• Polarizability: 22.168617 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.162

Product Information

• Purity: 95%