bis(2,2-dimethylpropyl)amine

• ChemBase ID: 246915
• Molecular Formular: C10H23N
• Molecular Mass: 157.29632
• Monoisotopic Mass: 157.18304974
• SMILES: N(CC(C)(C)C)CC(C)(C)C
• Canonical SMILES: CC(CNCC(C)(C)C)(C)C
• InChI: InChI=1S/C10H23N/c1-9(2,3)7-11-8-10(4,5)6/h11H,7-8H2,1-6H3
• InChIKey: VUXINUDYAQGLKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2,2-dimethylpropyl)amine
• IUPAC Traditional name: bis(2,2-dimethylpropyl)amine
• Synonyms: bis(2,2-dimethylpropyl)amine

Database IDs

• MDL Number: MFCD00962253
• PubChem SID: 164302825
• PubChem CID: 3760175

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.18673623
• LogD (pH = 7.4): 0.027920088
• Log P: 3.0517297
• Molar Refractivity: 50.978 cm^3
• Polarizability: 20.73024 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.194

Product Information

• Purity: 95%