1-methoxy-4-methylpentan-3-amine

• ChemBase ID: 237848
• Molecular Formular: C7H17NO
• Molecular Mass: 131.21598
• Monoisotopic Mass: 131.13101417
• SMILES: C(N)(C(C)C)CCOC
• Canonical SMILES: COCCC(C(C)C)N
• InChI: InChI=1S/C7H17NO/c1-6(2)7(8)4-5-9-3/h6-7H,4-5,8H2,1-3H3
• InChIKey: CXXJHGDHEXDWPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14661478
• PubChem SID: 164293758
• PubChem CID: 61412871

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3361933
• LogD (pH = 7.4): -2.0449283
• Log P: 0.6915956
• Molar Refractivity: 39.2421 cm^3
• Polarizability: 15.844791 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.032

Product Information

• Purity: 95%