3-(pyrrolidin-1-ylmethyl)pyrrolidine

• ChemBase ID: 277908
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: N1(CC2CNCC2)CCCC1
• Canonical SMILES: C1NCC(C1)CN1CCCC1
• InChI: InChI=1S/C9H18N2/c1-2-6-11(5-1)8-9-3-4-10-7-9/h9-10H,1-8H2
• InChIKey: DZFGWNNSHNOGPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(pyrrolidin-1-ylmethyl)pyrrolidine
• IUPAC Traditional name: 3-(pyrrolidin-1-ylmethyl)pyrrolidine
• Synonyms: 3-(pyrrolidin-1-ylmethyl)pyrrolidine

Database IDs

• MDL Number: MFCD09036032
• PubChem SID: 164333818
• PubChem CID: 14627370

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.116623
• LogD (pH = 7.4): -4.4306054
• Log P: 0.29731393
• Molar Refractivity: 47.8037 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.324

Product Information

• Purity: 95%