1-(aminomethyl)-N,N,3-trimethylcyclohexan-1-amine

• ChemBase ID: 262169
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: C1(N(C)C)(CC(CCC1)C)CN
• Canonical SMILES: NCC1(CCCC(C1)C)N(C)C
• InChI: InChI=1S/C10H22N2/c1-9-5-4-6-10(7-9,8-11)12(2)3/h9H,4-8,11H2,1-3H3
• InChIKey: PEUFZDVXZCCLLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(aminomethyl)-N,N,3-trimethylcyclohexan-1-amine
• IUPAC Traditional name: 1-(aminomethyl)-N,N,3-trimethylcyclohexan-1-amine
• Synonyms: 1-(aminomethyl)-N,N,3-trimethylcyclohexan-1-amine

Database IDs

• MDL Number: MFCD09946464
• PubChem SID: 164318079
• PubChem CID: 24706957

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5246592
• LogD (pH = 7.4): -1.3203504
• Log P: 1.403244
• Molar Refractivity: 53.3903 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.217

Product Information

• Purity: 95%