1-(2-methoxyethyl)pyrrolidin-3-amine

• ChemBase ID: 271965
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: N1(CC(CC1)N)CCOC
• Canonical SMILES: COCCN1CCC(C1)N
• InChI: InChI=1S/C7H16N2O/c1-10-5-4-9-3-2-7(8)6-9/h7H,2-6,8H2,1H3
• InChIKey: SRWRVWNAMHIATJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)pyrrolidin-3-amine
• IUPAC Traditional name: 1-(2-methoxyethyl)pyrrolidin-3-amine
• Synonyms: 1-(2-methoxyethyl)pyrrolidin-3-amine

Database IDs

• MDL Number: MFCD11640980
• PubChem SID: 164327875
• PubChem CID: 20800284

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.1117983
• LogD (pH = 7.4): -3.0621173
• Log P: -0.705588
• Molar Refractivity: 41.548 cm^3
• Polarizability: 16.638529 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.122

Product Information

• Purity: 95%