(2-tert-butylcyclohexyl)methanamine hydrochloride

• ChemBase ID: 263528
• Molecular Formular: C11H24ClN
• Molecular Mass: 205.76796
• Monoisotopic Mass: 205.15972745
• SMILES: C1(C(C)(C)C)C(CN)CCCC1.Cl
• Canonical SMILES: NCC1CCCCC1C(C)(C)C.Cl
• InChI: InChI=1S/C11H23N.ClH/c1-11(2,3)10-7-5-4-6-9(10)8-12;/h9-10H,4-8,12H2,1-3H3;1H
• InChIKey: BOUMEDOPDQZXED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-tert-butylcyclohexyl)methanamine hydrochloride
• IUPAC Traditional name: (2-tert-butylcyclohexyl)methanamine hydrochloride
• Synonyms: (2-tert-butylcyclohexyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD13196110
• PubChem SID: 164319438
• PubChem CID: 45792364

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.21663208
• LogD (pH = 7.4): 0.19956993
• Log P: 2.8074784
• Molar Refractivity: 53.8371 cm^3
• Polarizability: 21.833244 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.832

Product Information

• Purity: 95%