[1-(methoxymethyl)cyclopentyl]methanamine

• ChemBase ID: 308084
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: C1(CN)(COC)CCCC1
• Canonical SMILES: NCC1(CCCC1)COC
• InChI: InChI=1S/C8H17NO/c1-10-7-8(6-9)4-2-3-5-8/h2-7,9H2,1H3
• InChIKey: KUCCWLVYHNDZCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(methoxymethyl)cyclopentyl]methanamine
• IUPAC Traditional name: [1-(methoxymethyl)cyclopentyl]methanamine
• Synonyms: 1-[1-(methoxymethyl)cyclopentyl]methanamine

Database IDs

• CAS Number: 1134331-36-4
• MDL Number: MFCD10686565

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2274446
• LogD (pH = 7.4): -1.5554183
• Log P: 0.78461194
• Molar Refractivity: 41.9868 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 35.25 Å^2