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

• ChemBase ID: 24452
• Molecular Formular: C10H22N2O
• Molecular Mass: 186.29448
• Monoisotopic Mass: 186.17321333
• SMILES: O1C(CNCCCNCC)CCC1
• Canonical SMILES: CCNCCCNCC1CCCO1
• InChI: InChI=1S/C10H22N2O/c1-2-11-6-4-7-12-9-10-5-3-8-13-10/h10-12H,2-9H2,1H3
• InChIKey: NDUDEOIPHQIRSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD10687339
• PubChem SID: 160987759
• PubChem CID: 46736045

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.6064186
• LogD (pH = 7.4): -3.6002276
• Log P: 0.27807483
• Molar Refractivity: 55.2865 cm^3
• Polarizability: 22.168617 Å^3
• Polar Surface Area: 33.29 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false