N-(2-methoxyethyl)cyclopentanamine hydrochloride

• ChemBase ID: 266286
• Molecular Formular: C8H18ClNO
• Molecular Mass: 179.68762
• Monoisotopic Mass: 179.10769188
• SMILES: N(C1CCCC1)CCOC.Cl
• Canonical SMILES: COCCNC1CCCC1.Cl
• InChI: InChI=1S/C8H17NO.ClH/c1-10-7-6-9-8-4-2-3-5-8;/h8-9H,2-7H2,1H3;1H
• InChIKey: AQZIFJVOWPZPIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)cyclopentanamine hydrochloride
• IUPAC Traditional name: N-(2-methoxyethyl)cyclopentanamine hydrochloride
• Synonyms: N-(2-methoxyethyl)cyclopentanamine hydrochloride

Database IDs

• MDL Number: MFCD15209638
• PubChem SID: 164322196
• PubChem CID: 47002653

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.105254
• LogD (pH = 7.4): -1.4193919
• Log P: 1.1148479
• Molar Refractivity: 42.1501 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 1.244

Product Information

• Purity: 95%