hexyl(3-methoxypropyl)amine

• ChemBase ID: 29659
• Molecular Formular: C10H23NO
• Molecular Mass: 173.29572
• Monoisotopic Mass: 173.17796436
• SMILES: N(CCCOC)CCCCCC
• Canonical SMILES: CCCCCCNCCCOC
• InChI: InChI=1S/C10H23NO/c1-3-4-5-6-8-11-9-7-10-12-2/h11H,3-10H2,1-2H3
• InChIKey: AEWAXCURVTXPCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexyl(3-methoxypropyl)amine
• IUPAC Traditional name: hexyl(3-methoxypropyl)amine
• Synonyms: N-(3-Methoxypropyl)-1-hexanamine

Database IDs

• MDL Number: MFCD10688248
• PubChem SID: 160992966
• PubChem CID: 28309044

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2019295
• LogD (pH = 7.4): -0.8508588
• Log P: 2.033142
• Molar Refractivity: 53.6779 cm^3
• Polarizability: 21.380194 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false