[3-(ethylamino)propyl](furan-2-ylmethyl)amine

• ChemBase ID: 24474
• Molecular Formular: C10H18N2O
• Molecular Mass: 182.26272
• Monoisotopic Mass: 182.14191321
• SMILES: c1(occc1)CNCCCNCC
• Canonical SMILES: CCNCCCNCc1ccco1
• InChI: InChI=1S/C10H18N2O/c1-2-11-6-4-7-12-9-10-5-3-8-13-10/h3,5,8,11-12H,2,4,6-7,9H2,1H3
• InChIKey: HIVXAYKDDRGBCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(ethylamino)propyl](furan-2-ylmethyl)amine
• IUPAC Traditional name: [3-(ethylamino)propyl](furan-2-ylmethyl)amine
• Synonyms: N1-Ethyl-N3-(2-furylmethyl)-1,3-propanediamine

Database IDs

• MDL Number: MFCD09693270
• PubChem SID: 160987781
• PubChem CID: 17215680

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.0515594
• LogD (pH = 7.4): -2.3836756
• Log P: 0.6442056
• Molar Refractivity: 54.0353 cm^3
• Polarizability: 21.293835 Å^3
• Polar Surface Area: 37.2 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false