1-(aminomethyl)-2-methylcyclohexan-1-amine

• ChemBase ID: 272660
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: C1(C(C)CCCC1)(N)CN
• Canonical SMILES: NCC1(N)CCCCC1C
• InChI: InChI=1S/C8H18N2/c1-7-4-2-3-5-8(7,10)6-9/h7H,2-6,9-10H2,1H3
• InChIKey: CFCWMFSNNMJUNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(aminomethyl)-2-methylcyclohexan-1-amine
• IUPAC Traditional name: 1-(aminomethyl)-2-methylcyclohexan-1-amine
• Synonyms: 1-(aminomethyl)-2-methylcyclohexan-1-amine

Database IDs

• MDL Number: MFCD12190243
• PubChem SID: 164328570
• PubChem CID: 43519513

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.151952
• LogD (pH = 7.4): -2.1271384
• Log P: 0.6655694
• Molar Refractivity: 43.244 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.518

Product Information

• Purity: 95%