tert-butyl(propyl)amine

• ChemBase ID: 264241
• Molecular Formular: C7H17N
• Molecular Mass: 115.21658
• Monoisotopic Mass: 115.13609955
• SMILES: C(NCCC)(C)(C)C
• Canonical SMILES: CCCNC(C)(C)C
• InChI: InChI=1S/C7H17N/c1-5-6-8-7(2,3)4/h8H,5-6H2,1-4H3
• InChIKey: LJQGARKSJMMQBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03210936
• PubChem SID: 164320151
• PubChem CID: 12426736

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4980204
• LogD (pH = 7.4): -1.2817612
• Log P: 1.7404115
• Molar Refractivity: 37.7716 cm^3
• Polarizability: 15.189125 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.777

Product Information

• Purity: 95%