3-ethoxy-4-methylpentan-1-amine

• ChemBase ID: 285373
• Molecular Formular: C8H19NO
• Molecular Mass: 145.24256
• Monoisotopic Mass: 145.14666423
• SMILES: C(C(C)C)(CCN)OCC
• Canonical SMILES: NCCC(C(C)C)OCC
• InChI: InChI=1S/C8H19NO/c1-4-10-8(5-6-9)7(2)3/h7-8H,4-6,9H2,1-3H3
• InChIKey: ABGOVGHCPXGROD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxy-4-methylpentan-1-amine
• IUPAC Traditional name: 3-ethoxy-4-methylpentan-1-amine
• Synonyms: 3-ethoxy-4-methylpentan-1-amine

Database IDs

• MDL Number: MFCD20731249
• PubChem SID: 180670904
• PubChem CID: 56828152

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9738389
• LogD (pH = 7.4): -1.506089
• Log P: 1.0484036
• Molar Refractivity: 43.9907 cm^3
• Polarizability: 17.689554 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.421

Product Information

• Purity: 95%