ethyl[3-(pyrrolidin-1-yl)propyl]amine

• ChemBase ID: 24448
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(CCCNCC)CCCC1
• Canonical SMILES: CCNCCCN1CCCC1
• InChI: InChI=1S/C9H20N2/c1-2-10-6-5-9-11-7-3-4-8-11/h10H,2-9H2,1H3
• InChIKey: QBXOEDRXHFFODI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[3-(pyrrolidin-1-yl)propyl]amine
• IUPAC Traditional name: ethyl[3-(pyrrolidin-1-yl)propyl]amine
• Synonyms: N-Ethyl-3-(1-pyrrolidinyl)-1-propanamine

Database IDs

• MDL Number: MFCD09971862
• PubChem SID: 160987755
• PubChem CID: 23440046

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.3315716
• LogD (pH = 7.4): -3.2586255
• Log P: 0.6483312
• Molar Refractivity: 49.8675 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false