2-(3-methylbutoxy)cyclohexan-1-amine hydrochloride

• ChemBase ID: 243342
• Molecular Formular: C11H24ClNO
• Molecular Mass: 221.76736
• Monoisotopic Mass: 221.15464207
• SMILES: C1(C(OCCC(C)C)CCCC1)N.Cl
• Canonical SMILES: CC(CCOC1CCCCC1N)C.Cl
• InChI: InChI=1S/C11H23NO.ClH/c1-9(2)7-8-13-11-6-4-3-5-10(11)12;/h9-11H,3-8,12H2,1-2H3;1H
• InChIKey: QQDBCRXSRYCXDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methylbutoxy)cyclohexan-1-amine hydrochloride
• IUPAC Traditional name: 2-(3-methylbutoxy)cyclohexan-1-amine hydrochloride
• Synonyms: 2-(3-methylbutoxy)cyclohexan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22578650
• PubChem SID: 164299252
• PubChem CID: 71757228

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6559512
• LogD (pH = 7.4): 0.06299261
• Log P: 2.3529527
• Molar Refractivity: 55.4679 cm^3
• Polarizability: 22.48926 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.716

Product Information

• Purity: 95%