3-methoxycyclohexan-1-amine

• ChemBase ID: 241797
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C1C(N)CCCC1OC
• Canonical SMILES: COC1CCCC(C1)N
• InChI: InChI=1S/C7H15NO/c1-9-7-4-2-3-6(8)5-7/h6-7H,2-5,8H2,1H3
• InChIKey: JQGZGROVQGEGIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxycyclohexan-1-amine
• IUPAC Traditional name: 3-methoxycyclohexan-1-amine
• Synonyms: 3-methoxycyclohexan-1-amine

Database IDs

• MDL Number: MFCD19649929
• PubChem SID: 164297707
• PubChem CID: 409908

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6695387
• LogD (pH = 7.4): -2.346862
• Log P: 0.35742563
• Molar Refractivity: 37.3101 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.668

Product Information

• Purity: 95%