(7-aminoheptyl)diethylamine

• ChemBase ID: 107214
• Molecular Formular: C11H26N2
• Molecular Mass: 186.33754
• Monoisotopic Mass: 186.20959884
• SMILES: CCN(CC)CCCCCCCN
• Canonical SMILES: NCCCCCCCN(CC)CC
• InChI: InChI=1S/C11H26N2/c1-3-13(4-2)11-9-7-5-6-8-10-12/h3-12H2,1-2H3
• InChIKey: OMJKSFGVIXXFFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (7-aminoheptyl)diethylamine
• IUPAC Traditional name: (7-aminoheptyl)diethylamine
• Synonyms: 7-DIETHYLAMINOHEPTYLAMINE

Database IDs

• CAS Number: 20526-69-6
• PubChem SID: 162094516
• PubChem CID: 3709411

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.487481
• LogD (pH = 7.4): -3.410837
• Log P: 2.01783
• Molar Refractivity: 60.7481 cm^3
• Polarizability: 24.093277 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05202947

MP Biomedicals Rare Chemical collection