5,5-dimethylhexan-1-amine

• ChemBase ID: 270666
• Molecular Formular: C8H19N
• Molecular Mass: 129.24316
• Monoisotopic Mass: 129.15174961
• SMILES: C(CCCCN)(C)(C)C
• Canonical SMILES: NCCCCC(C)(C)C
• InChI: InChI=1S/C8H19N/c1-8(2,3)6-4-5-7-9/h4-7,9H2,1-3H3
• InChIKey: GAHCNYHAKKGGHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,5-dimethylhexan-1-amine
• IUPAC Traditional name: 5,5-dimethylhexan-1-amine
• Synonyms: 5,5-dimethylhexan-1-amine

Database IDs

• MDL Number: MFCD09913598
• PubChem SID: 164326576
• PubChem CID: 521948

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8493443
• LogD (pH = 7.4): -0.4295617
• Log P: 2.1746438
• Molar Refractivity: 42.0181 cm^3
• Polarizability: 17.036163 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.779

Product Information

• Purity: 95%