{3-[(3-methoxypropyl)amino]propyl}(methyl)amine

• ChemBase ID: 24506
• Molecular Formular: C8H20N2O
• Molecular Mass: 160.2572
• Monoisotopic Mass: 160.15756327
• SMILES: N(CCCOC)CCCNC
• Canonical SMILES: CNCCCNCCCOC
• InChI: InChI=1S/C8H20N2O/c1-9-5-3-6-10-7-4-8-11-2/h9-10H,3-8H2,1-2H3
• InChIKey: RLNFYTQNARRZGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-[(3-methoxypropyl)amino]propyl}(methyl)amine
• IUPAC Traditional name: {3-[(3-methoxypropyl)amino]propyl}(methyl)amine
• Synonyms: N1-(3-Methoxypropyl)-N3-methyl-1,3-propanediamine

Database IDs

• MDL Number: MFCD10687386
• PubChem SID: 160987813
• PubChem CID: 28307233

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -6.5721354
• LogD (pH = 7.4): -4.683631
• Log P: -0.48433793
• Molar Refractivity: 48.1921 cm^3
• Polarizability: 19.213655 Å^3
• Polar Surface Area: 33.29 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false