3-(4-methylpentyl)pyrrolidine

• ChemBase ID: 50173
• Molecular Formular: C10H21N
• Molecular Mass: 155.28044
• Monoisotopic Mass: 155.16739968
• SMILES: N1CC(CCCC(C)C)CC1
• Canonical SMILES: CC(CCCC1CNCC1)C
• InChI: InChI=1S/C10H21N/c1-9(2)4-3-5-10-6-7-11-8-10/h9-11H,3-8H2,1-2H3
• InChIKey: TWDWKTIDBBLOGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methylpentyl)pyrrolidine
• IUPAC Traditional name: 3-(4-methylpentyl)pyrrolidine
• Synonyms: 3-(4-Methylpentyl)pyrrolidine

Database IDs

• MDL Number: MFCD13562889
• PubChem SID: 162054936
• PubChem CID: 53409321

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.597948
• LogD (pH = 7.4): -0.53342324
• Log P: 2.6431856
• Molar Refractivity: 49.6586 cm^3
• Polarizability: 19.986317 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false