(3-amino-2,2-dimethylbutyl)dimethylamine

• ChemBase ID: 279174
• Molecular Formular: C8H20N2
• Molecular Mass: 144.2578
• Monoisotopic Mass: 144.16264865
• SMILES: C(CN(C)C)(C(N)C)(C)C
• Canonical SMILES: CN(CC(C(N)C)(C)C)C
• InChI: InChI=1S/C8H20N2/c1-7(9)8(2,3)6-10(4)5/h7H,6,9H2,1-5H3
• InChIKey: ICEDGCVQOZKTIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-amino-2,2-dimethylbutyl)dimethylamine
• IUPAC Traditional name: (3-amino-2,2-dimethylbutyl)dimethylamine
• Synonyms: (3-amino-2,2-dimethylbutyl)dimethylamine

Database IDs

• MDL Number: MFCD20233613
• PubChem SID: 164335084
• PubChem CID: 54595176

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.079044
• LogD (pH = 7.4): -2.9000938
• Log P: 0.84139556
• Molar Refractivity: 45.9814 cm^3
• Polarizability: 18.552586 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.078

Product Information

• Purity: 95%