1-methylcyclohexan-1-amine

• ChemBase ID: 259397
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: C1(N)(C)CCCCC1
• Canonical SMILES: CC1(N)CCCCC1
• InChI: InChI=1S/C7H15N/c1-7(8)5-3-2-4-6-7/h2-6,8H2,1H3
• InChIKey: YDBHSDRXUCPTQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylcyclohexan-1-amine
• IUPAC Traditional name: 1-methylcyclohexylamine
• Synonyms: 1-methylcyclohexan-1-amine; (1-methylcyclohexyl)amine

Database IDs

• CAS Number: 6526-78-9
• MDL Number: MFCD08061940
• PubChem SID: 164315307
• PubChem CID: 3021578

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5757583
• LogD (pH = 7.4): -1.3898281
• Log P: 1.4543884
• Molar Refractivity: 35.5712 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.886

Product Information

• Purity: 95%