2-(3-methylbutoxy)ethan-1-amine

• ChemBase ID: 261903
• Molecular Formular: C7H17NO
• Molecular Mass: 131.21598
• Monoisotopic Mass: 131.13101417
• SMILES: NCCOCCC(C)C
• Canonical SMILES: NCCOCCC(C)C
• InChI: InChI=1S/C7H17NO/c1-7(2)3-5-9-6-4-8/h7H,3-6,8H2,1-2H3
• InChIKey: VPCOEWNBDAOSCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methylbutoxy)ethan-1-amine
• IUPAC Traditional name: 2-(3-methylbutoxy)ethanamine
• Synonyms: 2-(3-methylbutoxy)ethan-1-amine

Database IDs

• MDL Number: MFCD09806287
• PubChem SID: 164317813
• PubChem CID: 20115425

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.044627
• LogD (pH = 7.4): -1.0689868
• Log P: 0.9384837
• Molar Refractivity: 39.3845 cm^3
• Polarizability: 15.844791 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.314

Product Information

• Purity: 95%