[2-(dimethylamino)ethyl](2-methylpropyl)amine

• ChemBase ID: 254591
• Molecular Formular: C8H20N2
• Molecular Mass: 144.2578
• Monoisotopic Mass: 144.16264865
• SMILES: N(CCNCC(C)C)(C)C
• Canonical SMILES: CC(CNCCN(C)C)C
• InChI: InChI=1S/C8H20N2/c1-8(2)7-9-5-6-10(3)4/h8-9H,5-7H2,1-4H3
• InChIKey: GOZSCJXMGZBZIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(dimethylamino)ethyl](2-methylpropyl)amine
• IUPAC Traditional name: [2-(dimethylamino)ethyl](2-methylpropyl)amine
• Synonyms: N'-isobutyl-N,N-dimethylethane-1,2-diamine

Database IDs

• MDL Number: MFCD09045199
• PubChem SID: 164310501
• PubChem CID: 16772870

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2674932
• LogD (pH = 7.4): -1.7419807
• Log P: 1.0700692
• Molar Refractivity: 46.4567 cm^3
• Polarizability: 18.552586 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.438

Product Information

• Purity: 95%