4-methoxy-4-methylpentan-2-amine

• ChemBase ID: 281342
• Molecular Formular: C7H17NO
• Molecular Mass: 131.21598
• Monoisotopic Mass: 131.13101417
• SMILES: C(CC(N)C)(OC)(C)C
• Canonical SMILES: COC(CC(N)C)(C)C
• InChI: InChI=1S/C7H17NO/c1-6(8)5-7(2,3)9-4/h6H,5,8H2,1-4H3
• InChIKey: GGSAMCDSFWBGCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-4-methylpentan-2-amine
• IUPAC Traditional name: 4-methoxy-4-methylpentan-2-amine
• Synonyms: 4-methoxy-4-methylpentan-2-amine

Database IDs

• MDL Number: MFCD11199650
• PubChem SID: 180666873
• PubChem CID: 22273175

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5252469
• LogD (pH = 7.4): -2.185826
• Log P: 0.50125206
• Molar Refractivity: 39.3035 cm^3
• Polarizability: 15.844791 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.812

Product Information

• Purity: 95%