(3-methoxypropyl)(pentyl)amine

• ChemBase ID: 248653
• Molecular Formular: C9H21NO
• Molecular Mass: 159.26914
• Monoisotopic Mass: 159.1623143
• SMILES: N(CCCOC)CCCCC
• Canonical SMILES: CCCCCNCCCOC
• InChI: InChI=1S/C9H21NO/c1-3-4-5-7-10-8-6-9-11-2/h10H,3-9H2,1-2H3
• InChIKey: ZAAUEOJGRAIXHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methoxypropyl)(pentyl)amine
• IUPAC Traditional name: (3-methoxypropyl)(pentyl)amine
• Synonyms: (3-methoxypropyl)(pentyl)amine

Database IDs

• MDL Number: MFCD11161633
• PubChem SID: 164304563
• PubChem CID: 14806244

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6464982
• LogD (pH = 7.4): -1.2954313
• Log P: 1.5885735
• Molar Refractivity: 49.0769 cm^3
• Polarizability: 19.534721 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.179

Product Information

• Purity: 95%