methyl[3-(propan-2-yloxy)propyl]amine

• ChemBase ID: 278351
• Molecular Formular: C7H17NO
• Molecular Mass: 131.21598
• Monoisotopic Mass: 131.13101417
• SMILES: N(CCCOC(C)C)C
• Canonical SMILES: CNCCCOC(C)C
• InChI: InChI=1S/C7H17NO/c1-7(2)9-6-4-5-8-3/h7-8H,4-6H2,1-3H3
• InChIKey: LFKFQHDZGFHGKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[3-(propan-2-yloxy)propyl]amine
• IUPAC Traditional name: (3-isopropoxypropyl)(methyl)amine
• Synonyms: methyl[3-(propan-2-yloxy)propyl]amine

Database IDs

• MDL Number: MFCD16662982
• PubChem SID: 164334261
• PubChem CID: 19842664

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.636794
• LogD (pH = 7.4): -2.146977
• Log P: 0.59348875
• Molar Refractivity: 39.7697 cm^3
• Polarizability: 15.844791 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.761

Product Information

• Purity: 95%