2,2-dimethylheptan-1-amine

• ChemBase ID: 236504
• Molecular Formular: C9H21N
• Molecular Mass: 143.26974
• Monoisotopic Mass: 143.16739968
• SMILES: C(CN)(CCCCC)(C)C
• Canonical SMILES: CCCCCC(CN)(C)C
• InChI: InChI=1S/C9H21N/c1-4-5-6-7-9(2,3)8-10/h4-8,10H2,1-3H3
• InChIKey: AFYUBCQPUVSMBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethylheptan-1-amine
• IUPAC Traditional name: 2,2-dimethylheptan-1-amine
• Synonyms: 2,2-dimethylheptan-1-amine

Database IDs

• MDL Number: MFCD16855891
• PubChem SID: 164292414
• PubChem CID: 53640913

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.24059844
• LogD (pH = 7.4): 0.36908728
• Log P: 2.7751198
• Molar Refractivity: 46.4651 cm^3
• Polarizability: 18.883202 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.308

Product Information

• Purity: 95%