5-{1-[(2-aminoethoxy)imino]hexyl}-2-methylaniline

• ChemBase ID: 126386
• Molecular Formular: C15H25N3O
• Molecular Mass: 263.3785
• Monoisotopic Mass: 263.19976244
• SMILES: O(/N=C(/c1cc(N)c(cc1)C)\CCCCC)CCN
• Canonical SMILES: CCCCC/C(=N\OCCN)/c1ccc(c(c1)N)C
• InChI: InChI=1S/C15H25N3O/c1-3-4-5-6-15(18-19-10-9-16)13-8-7-12(2)14(17)11-13/h7-8,11H,3-6,9-10,16-17H2,1-2H3
• InChIKey: ZIWQJHATUBOOFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{1-[(2-aminoethoxy)imino]hexyl}-2-methylaniline
• IUPAC Traditional name: 5-{1-[(2-aminoethoxy)imino]hexyl}-2-methylaniline
• Synonyms: Caproxamine

Database IDs

• CAS Number: 24047-16-3
• PubChem SID: 162220720
• PubChem CID: 5492298; 9578268
• Chemspider ID: 7852632
• Unique Ingredient Identifier: 7YQT311430
• Wikipedia Title: Caproxamine

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.5102012
• LogD (pH = 7.4): 0.9520807
• Log P: 2.8400874
• Molar Refractivity: 80.8861 cm^3
• Polarizability: 30.906559 Å^3
• Polar Surface Area: 73.63 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true