(2-methoxyethyl)(pentan-3-yl)amine

• ChemBase ID: 257413
• Molecular Formular: C8H19NO
• Molecular Mass: 145.24256
• Monoisotopic Mass: 145.14666423
• SMILES: N(C(CC)CC)CCOC
• Canonical SMILES: COCCNC(CC)CC
• InChI: InChI=1S/C8H19NO/c1-4-8(5-2)9-6-7-10-3/h8-9H,4-7H2,1-3H3
• InChIKey: NDKWAYMBWFBCJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)(pentan-3-yl)amine
• IUPAC Traditional name: (2-methoxyethyl)(pentan-3-yl)amine
• Synonyms: N-(1-ethylpropyl)-N-(2-methoxyethyl)amine

Database IDs

• MDL Number: MFCD11505424
• PubChem SID: 164313323
• PubChem CID: 28426026

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6463156
• LogD (pH = 7.4): -1.0411993
• Log P: 1.5785738
• Molar Refractivity: 43.9523 cm^3
• Polarizability: 17.689554 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.528

Product Information

• Purity: 95%