3-(cyclohexylmethoxy)pyrrolidine hydrochloride

• ChemBase ID: 21005
• Molecular Formular: C11H22ClNO
• Molecular Mass: 219.75148
• Monoisotopic Mass: 219.13899201
• SMILES: C1C(CNC1)OCC1CCCCC1.Cl
• Canonical SMILES: C1CCC(CC1)COC1CNCC1.Cl
• InChI: InChI=1S/C11H21NO.ClH/c1-2-4-10(5-3-1)9-13-11-6-7-12-8-11;/h10-12H,1-9H2;1H
• InChIKey: YTSDWCXUCUBBKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclohexylmethoxy)pyrrolidine hydrochloride
• IUPAC Traditional name: 3-(cyclohexylmethoxy)pyrrolidine hydrochloride
• Synonyms: 3-(Cyclohexylmethoxy)pyrrolidine hydrochloride

Database IDs

• MDL Number: MFCD09879225
• PubChem SID: 160984312
• PubChem CID: 45075452

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4115391
• LogD (pH = 7.4): -1.0306007
• Log P: 1.8226311
• Molar Refractivity: 54.0485 cm^3
• Polarizability: 21.75466 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false