4-cyclopentyl-4-methylpentan-1-amine

• ChemBase ID: 275228
• Molecular Formular: C11H23N
• Molecular Mass: 169.30702
• Monoisotopic Mass: 169.18304974
• SMILES: C(C1CCCC1)(CCCN)(C)C
• Canonical SMILES: NCCCC(C1CCCC1)(C)C
• InChI: InChI=1S/C11H23N/c1-11(2,8-5-9-12)10-6-3-4-7-10/h10H,3-9,12H2,1-2H3
• InChIKey: YDLUDVYZXSARNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclopentyl-4-methylpentan-1-amine
• IUPAC Traditional name: 4-cyclopentyl-4-methylpentan-1-amine
• Synonyms: 4-cyclopentyl-4-methylpentan-1-amine

Database IDs

• MDL Number: MFCD18839136
• PubChem SID: 164331138
• PubChem CID: 54593590

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.1369014
• LogD (pH = 7.4): 0.28324246
• Log P: 2.8870742
• Molar Refractivity: 53.9665 cm^3
• Polarizability: 21.833244 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.812

Product Information

• Purity: 95%