cyclohexanaminium

• ChemBase ID: 2704
• Molecular Formular: C6H14N+
• Molecular Mass: 100.18206
• Monoisotopic Mass: 100.11262445
• SMILES: [NH3+]C1CCCCC1
• Canonical SMILES: [NH3+]C1CCCCC1
• InChI: InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2/p+1
• InChIKey: PAFZNILMFXTMIY-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexanaminium
• IUPAC Traditional name: cyclohexylammonium ion
• Synonyms: Cyclohexylammonium Ion

Database IDs

• PubChem SID: 46505848; 160966153
• PubChem CID: 1549093

CALCULATED PROPERTIES

JChem

• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): -1.8541405
• LogD (pH = 7.4): -1.5693852
• Log P: 1.1738117
• Molar Refractivity: 42.2258 cm^3
• Polarizability: 12.525586 Å^3
• Polar Surface Area: 27.64 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -1.15
• LOG S: -3.26
• Solubility (Water): 7.40e-02 g/l

DETAILS

DrugBank - DB02995

Drug information: experimental