2-(cyclopentylmethoxy)ethan-1-amine

• ChemBase ID: 15376
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: NCCOCC1CCCC1
• Canonical SMILES: NCCOCC1CCCC1
• InChI: InChI=1S/C8H17NO/c9-5-6-10-7-8-3-1-2-4-8/h8H,1-7,9H2
• InChIKey: PUVOKVOMUFLVKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopentylmethoxy)ethan-1-amine
• IUPAC Traditional name: 2-(cyclopentylmethoxy)ethanamine
• Synonyms: 2-(Cyclopentylmethoxy)-1-ethanamine

Database IDs

• MDL Number: MFCD06246674
• PubChem SID: 160978683
• PubChem CID: 28305683

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9858296
• LogD (pH = 7.4): -1.0101838
• Log P: 0.99728024
• Molar Refractivity: 42.1063 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false