tert-butyl[2-(dimethylamino)ethyl]amine

• ChemBase ID: 257528
• Molecular Formular: C8H20N2
• Molecular Mass: 144.2578
• Monoisotopic Mass: 144.16264865
• SMILES: C(NCCN(C)C)(C)(C)C
• Canonical SMILES: CN(CCNC(C)(C)C)C
• InChI: InChI=1S/C8H20N2/c1-8(2,3)9-6-7-10(4)5/h9H,6-7H2,1-5H3
• InChIKey: XGPPSKSOIFNAMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11505478
• PubChem SID: 164313438
• PubChem CID: 20626716

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4237123
• LogD (pH = 7.4): -1.8514761
• Log P: 0.8797257
• Molar Refractivity: 46.5181 cm^3
• Polarizability: 18.552586 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.218

Product Information

• Purity: 95%