3-(cyclobutylmethyl)pyrrolidine

• ChemBase ID: 50177
• Molecular Formular: C9H17N
• Molecular Mass: 139.23798
• Monoisotopic Mass: 139.13609955
• SMILES: N1CC(CC2CCC2)CC1
• Canonical SMILES: C1CC(C1)CC1CCNC1
• InChI: InChI=1S/C9H17N/c1-2-8(3-1)6-9-4-5-10-7-9/h8-10H,1-7H2
• InChIKey: DTYXLIYJPAQKGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclobutylmethyl)pyrrolidine
• IUPAC Traditional name: 3-(cyclobutylmethyl)pyrrolidine
• Synonyms: 3-(Cyclobutylmethyl)pyrrolidine

Database IDs

• MDL Number: MFCD13562895
• PubChem SID: 162054940
• PubChem CID: 53409351

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5062417
• LogD (pH = 7.4): -1.4416581
• Log P: 1.734891
• Molar Refractivity: 43.2554 cm^3
• Polarizability: 17.397926 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false