(4-tert-butylcyclohexyl)methanamine

• ChemBase ID: 239457
• Molecular Formular: C11H23N
• Molecular Mass: 169.30702
• Monoisotopic Mass: 169.18304974
• SMILES: C(C1CCC(CC1)CN)(C)(C)C
• Canonical SMILES: NCC1CCC(CC1)C(C)(C)C
• InChI: InChI=1S/C11H23N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h9-10H,4-8,12H2,1-3H3
• InChIKey: KLWXMRDMJMWUER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-tert-butylcyclohexyl)methanamine
• IUPAC Traditional name: (4-tert-butylcyclohexyl)methanamine
• Synonyms: (4-tert-butylcyclohexyl)methanamine

Database IDs

• MDL Number: MFCD11641534
• PubChem SID: 164295367
• PubChem CID: 12568253

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.21681096
• LogD (pH = 7.4): 0.19410363
• 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%