[1-(2-methoxyethyl)pyrrolidin-2-yl]methanamine

• ChemBase ID: 269513
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: N1(C(CN)CCC1)CCOC
• Canonical SMILES: COCCN1CCCC1CN
• InChI: InChI=1S/C8H18N2O/c1-11-6-5-10-4-2-3-8(10)7-9/h8H,2-7,9H2,1H3
• InChIKey: ZYIDBOZXSPLZTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-methoxyethyl)pyrrolidin-2-yl]methanamine
• IUPAC Traditional name: [1-(2-methoxyethyl)pyrrolidin-2-yl]methanamine
• Synonyms: [1-(2-methoxyethyl)pyrrolidin-2-yl]methanamine

Database IDs

• MDL Number: MFCD11131512
• PubChem SID: 164325423
• PubChem CID: 43187013

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.966025
• LogD (pH = 7.4): -2.6492999
• Log P: -0.18822531
• Molar Refractivity: 46.1926 cm^3
• Polarizability: 18.481222 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.497

Product Information

• Purity: 95%