1-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]pyrrolidine

• ChemBase ID: 129966
• Molecular Formular: C12H20N2
• Molecular Mass: 192.3006
• Monoisotopic Mass: 192.16264865
• SMILES: C1CCCN1CC#CCN1CCCC1
• Canonical SMILES: C1CCN(C1)CC#CCN1CCCC1
• InChI: InChI=1S/C12H20N2/c1-2-8-13(7-1)11-5-6-12-14-9-3-4-10-14/h1-4,7-12H2
• InChIKey: JSUAJTLKVREZHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]pyrrolidine
• IUPAC Traditional name: tremorine
• Synonyms: Tremorine

Database IDs

• CAS Number: 51-73-0
• PubChem SID: 162224252
• PubChem CID: 5534
• Wikipedia Title: Tremorine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -3.6367776
• LogD (pH = 7.4): -0.25675616
• Log P: 1.4942529
• Molar Refractivity: 61.6526 cm^3
• Polarizability: 23.351524 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true