[3-(heptylamino)propyl](methyl)amine

• ChemBase ID: 24442
• Molecular Formular: C11H26N2
• Molecular Mass: 186.33754
• Monoisotopic Mass: 186.20959884
• SMILES: N(CCCNCCCCCCC)C
• Canonical SMILES: CCCCCCCNCCCNC
• InChI: InChI=1S/C11H26N2/c1-3-4-5-6-7-10-13-11-8-9-12-2/h12-13H,3-11H2,1-2H3
• InChIKey: QKPBZKMDLSQTQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(heptylamino)propyl](methyl)amine
• IUPAC Traditional name: [3-(heptylamino)propyl](methyl)amine
• Synonyms: N1-Heptyl-N3-methyl-1,3-propanediamine

Database IDs

• MDL Number: MFCD10687331
• PubChem SID: 160987749
• PubChem CID: 46736040

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.974599
• LogD (pH = 7.4): -2.1614869
• Log P: 2.1602829
• Molar Refractivity: 59.9598 cm^3
• Polarizability: 24.093277 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false