2-methoxycyclohexan-1-amine

• ChemBase ID: 258605
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C1(C(OC)CCCC1)N
• Canonical SMILES: COC1CCCCC1N
• InChI: InChI=1S/C7H15NO/c1-9-7-5-3-2-4-6(7)8/h6-7H,2-5,8H2,1H3
• InChIKey: NBWFBXBZOBXMHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxycyclohexan-1-amine
• IUPAC Traditional name: 2-methoxycyclohexan-1-amine
• Synonyms: 2-methoxycyclohexan-1-amine

Database IDs

• MDL Number: MFCD11126394
• PubChem SID: 164314515
• PubChem CID: 22250879

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2668936
• LogD (pH = 7.4): -1.5482935
• Log P: 0.74203455
• Molar Refractivity: 37.0457 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): 0.73

Product Information

• Purity: 95%