2-(oxolan-3-yl)-2-(pyrrolidin-1-yl)ethan-1-amine

• ChemBase ID: 259321
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: N1(C(C2COCC2)CN)CCCC1
• Canonical SMILES: NCC(N1CCCC1)C1COCC1
• InChI: InChI=1S/C10H20N2O/c11-7-10(9-3-6-13-8-9)12-4-1-2-5-12/h9-10H,1-8,11H2
• InChIKey: LYWDLZJOPIGCMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxolan-3-yl)-2-(pyrrolidin-1-yl)ethan-1-amine
• IUPAC Traditional name: 2-(oxolan-3-yl)-2-(pyrrolidin-1-yl)ethanamine
• Synonyms: 2-(oxolan-3-yl)-2-(pyrrolidin-1-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD09731193
• PubChem SID: 164315231
• PubChem CID: 16784453

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.305181
• LogD (pH = 7.4): -3.220109
• Log P: -0.1224749
• Molar Refractivity: 53.7428 cm^3
• Polarizability: 21.43625 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.074

Product Information

• Purity: 95%