(3-methylcyclohexyl)methanamine

• ChemBase ID: 263115
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: C1C(CN)CCCC1C
• Canonical SMILES: NCC1CCCC(C1)C
• InChI: InChI=1S/C8H17N/c1-7-3-2-4-8(5-7)6-9/h7-8H,2-6,9H2,1H3
• InChIKey: AVBFYDXLBKBKNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methylcyclohexyl)methanamine
• IUPAC Traditional name: (3-methylcyclohexyl)methanamine
• Synonyms: (3-methylcyclohexyl)methanamine

Database IDs

• MDL Number: MFCD11641530
• PubChem SID: 164319025
• PubChem CID: 18361468

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.24844
• LogD (pH = 7.4): -0.8373514
• Log P: 1.7758435
• Molar Refractivity: 40.2124 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.505

Product Information

• Purity: 95%