1-[2-(methylamino)ethyl]cyclopentan-1-ol

• ChemBase ID: 144080
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: CNCCC1(CCCC1)O
• Canonical SMILES: CNCCC1(O)CCCC1
• InChI: InChI=1S/C8H17NO/c1-9-7-6-8(10)4-2-3-5-8/h9-10H,2-7H2,1H3
• InChIKey: ULWCQTYWQPOPFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(methylamino)ethyl]cyclopentan-1-ol
• IUPAC Traditional name: 1-[2-(methylamino)ethyl]cyclopentan-1-ol
• Synonyms: 1-[2-(Methylamino)ethyl]cyclopentanol; 1-[2-(methylamino)ethyl]cyclopentanol

Database IDs

• CAS Number: 959238-35-8
• MDL Number: MFCD09864405
• PubChem SID: 162238297
• PubChem CID: 28064327

CALCULATED PROPERTIES

• Acid pKa: 14.7422
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.764031
• LogD (pH = 7.4): -2.0687792
• Log P: 0.45544985
• Molar Refractivity: 42.1539 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C8H17NO

DETAILS

Sigma Aldrich - CBR00411

Other Notes
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Legal Information
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