1-(pyrrolidin-2-yl)ethan-1-amine

• ChemBase ID: 263862
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: N1C(C(N)C)CCC1
• Canonical SMILES: CC(C1CCCN1)N
• InChI: InChI=1S/C6H14N2/c1-5(7)6-3-2-4-8-6/h5-6,8H,2-4,7H2,1H3
• InChIKey: KAEAOSROYJPPIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrrolidin-2-yl)ethan-1-amine
• IUPAC Traditional name: 1-(pyrrolidin-2-yl)ethanamine
• Synonyms: 1-(pyrrolidin-2-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD13196186
• PubChem SID: 164319772
• PubChem CID: 14672276

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.3694916
• LogD (pH = 7.4): -3.6048238
• Log P: -0.10772272
• Molar Refractivity: 34.2732 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.078

Product Information

• Purity: 95%