(3-aminopropyl)(3-methoxypropyl)amine

• ChemBase ID: 24281
• Molecular Formular: C7H18N2O
• Molecular Mass: 146.23062
• Monoisotopic Mass: 146.14191321
• SMILES: N(CCCOC)CCCN
• Canonical SMILES: COCCCNCCCN
• InChI: InChI=1S/C7H18N2O/c1-10-7-3-6-9-5-2-4-8/h9H,2-8H2,1H3
• InChIKey: LLRMJSJSADDGPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-aminopropyl)(3-methoxypropyl)amine
• IUPAC Traditional name: (3-aminopropyl)(3-methoxypropyl)amine
• Synonyms: N1-(3-Methoxypropyl)-1,3-propanediamine

Database IDs

• MDL Number: MFCD10687251
• PubChem SID: 160987588
• PubChem CID: 106642

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -6.765459
• LogD (pH = 7.4): -4.852493
• Log P: -0.91691834
• Molar Refractivity: 43.4175 cm^3
• Polarizability: 17.369604 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false