(2-methoxycyclopentyl)methanamine

• ChemBase ID: 247087
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C1(C(OC)CCC1)CN
• Canonical SMILES: NCC1CCCC1OC
• InChI: InChI=1S/C7H15NO/c1-9-7-4-2-3-6(7)5-8/h6-7H,2-5,8H2,1H3
• InChIKey: UYYOZFLVQQRFBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxycyclopentyl)methanamine
• IUPAC Traditional name: (2-methoxycyclopentyl)methanamine
• Synonyms: (2-methoxycyclopentyl)methanamine

Database IDs

• MDL Number: MFCD12190145
• PubChem SID: 164302997
• PubChem CID: 43428752

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.680382
• LogD (pH = 7.4): -2.2220843
• Log P: 0.34222046
• Molar Refractivity: 37.3847 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.728

Product Information

• Purity: 95%