(3-aminopropyl)(octyl)amine

• ChemBase ID: 284078
• Molecular Formular: C11H26N2
• Molecular Mass: 186.33754
• Monoisotopic Mass: 186.20959884
• SMILES: N(CCCN)CCCCCCCC
• Canonical SMILES: CCCCCCCCNCCCN
• InChI: InChI=1S/C11H26N2/c1-2-3-4-5-6-7-10-13-11-8-9-12/h13H,2-12H2,1H3
• InChIKey: KPZNJYFFUWANHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-aminopropyl)(octyl)amine
• IUPAC Traditional name: (3-aminopropyl)(octyl)amine
• Synonyms: (3-aminopropyl)(octyl)amine

Database IDs

• MDL Number: MFCD06212750
• PubChem SID: 180669609
• PubChem CID: 81603

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.7192688
• LogD (pH = 7.4): -1.8825014
• Log P: 2.1722713
• Molar Refractivity: 59.7862 cm^3
• Polarizability: 24.093277 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.725

Product Information

• Purity: 95%