N-hexylcyclopentanamine

• ChemBase ID: 29263
• Molecular Formular: C11H23N
• Molecular Mass: 169.30702
• Monoisotopic Mass: 169.18304974
• SMILES: N(C1CCCC1)CCCCCC
• Canonical SMILES: CCCCCCNC1CCCC1
• InChI: InChI=1S/C11H23N/c1-2-3-4-7-10-12-11-8-5-6-9-11/h11-12H,2-10H2,1H3
• InChIKey: LKFYDKLTDCPTTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hexylcyclopentanamine
• IUPAC Traditional name: N-hexylcyclopentanamine
• Synonyms: N-Cyclopentyl-N-hexylamine

Database IDs

• MDL Number: MFCD10687875
• PubChem SID: 160992570
• PubChem CID: 20069938

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.13607186
• LogD (pH = 7.4): 0.33517423
• Log P: 3.3748598
• Molar Refractivity: 54.1822 cm^3
• Polarizability: 21.833244 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false