[3-(ethylamino)propyl](3-methoxypropyl)amine

• ChemBase ID: 24507
• Molecular Formular: C9H22N2O
• Molecular Mass: 174.28378
• Monoisotopic Mass: 174.17321333
• SMILES: N(CCCOC)CCCNCC
• Canonical SMILES: COCCCNCCCNCC
• InChI: InChI=1S/C9H22N2O/c1-3-10-6-4-7-11-8-5-9-12-2/h10-11H,3-9H2,1-2H3
• InChIKey: VBZNNTBXYDDNPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(ethylamino)propyl](3-methoxypropyl)amine
• IUPAC Traditional name: [3-(ethylamino)propyl](3-methoxypropyl)amine
• Synonyms: N1-Ethyl-N3-(3-methoxypropyl)-1,3-propanediamine

Database IDs

• MDL Number: MFCD10687387
• PubChem SID: 160987814
• PubChem CID: 28307235

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -6.211132
• LogD (pH = 7.4): -4.3371534
• Log P: -0.12752996
• Molar Refractivity: 52.9407 cm^3
• Polarizability: 21.058195 Å^3
• Polar Surface Area: 33.29 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false