(cyclopropylmethyl)(2,2-dimethoxyethyl)amine

• ChemBase ID: 264211
• Molecular Formular: C8H17NO2
• Molecular Mass: 159.22608
• Monoisotopic Mass: 159.12592879
• SMILES: C1CC1CNCC(OC)OC
• Canonical SMILES: COC(CNCC1CC1)OC
• InChI: InChI=1S/C8H17NO2/c1-10-8(11-2)6-9-5-7-3-4-7/h7-9H,3-6H2,1-2H3
• InChIKey: NHGWIPBDFWJQFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclopropylmethyl)(2,2-dimethoxyethyl)amine
• IUPAC Traditional name: (cyclopropylmethyl)(2,2-dimethoxyethyl)amine
• Synonyms: (cyclopropylmethyl)(2,2-dimethoxyethyl)amine

Database IDs

• MDL Number: MFCD12157749
• PubChem SID: 164320121
• PubChem CID: 45792518

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.2988746
• LogD (pH = 7.4): -0.9950456
• Log P: 0.81962585
• Molar Refractivity: 43.46 cm^3
• Polarizability: 17.64941 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.419

Product Information

• Purity: 95%