(2-aminoethyl)(tert-butyl)amine

• ChemBase ID: 268791
• Molecular Formular: C6H16N2
• Molecular Mass: 116.20464
• Monoisotopic Mass: 116.13134852
• SMILES: C(NCCN)(C)(C)C
• Canonical SMILES: NCCNC(C)(C)C
• InChI: InChI=1S/C6H16N2/c1-6(2,3)8-5-4-7/h8H,4-5,7H2,1-3H3
• InChIKey: JYXKYKIDIKVWNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)(tert-butyl)amine
• IUPAC Traditional name: (2-aminoethyl)(tert-butyl)amine
• Synonyms: (2-aminoethyl)(tert-butyl)amine

Database IDs

• MDL Number: MFCD11593986
• PubChem SID: 164324701
• PubChem CID: 12504477

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.780358
• LogD (pH = 7.4): -2.8461719
• Log P: 0.06409737
• Molar Refractivity: 36.4488 cm^3
• Polarizability: 14.858968 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.159

Product Information

• Purity: 95%