[(E)-[(4E)-2,2,5,9-tetramethyldeca-4,8-dien-1-ylidene]amino]urea

• ChemBase ID: 184688
• Molecular Formular: C15H27N3O
• Molecular Mass: 265.39438
• Monoisotopic Mass: 265.2154125
• SMILES: C(=O)(N/N=C/C(C/C=C(/CCC=C(C)C)\C)(C)C)N
• Canonical SMILES: NC(=O)N/N=C/C(C/C=C(/CCC=C(C)C)\C)(C)C
• InChI: InChI=1S/C15H27N3O/c1-12(2)7-6-8-13(3)9-10-15(4,5)11-17-18-14(16)19/h7,9,11H,6,8,10H2,1-5H3,(H3,16,18,19)/b13-9+,17-11+
• InChIKey: NMESIURDCJZCLY-KYHBMPLESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(E)-[(4E)-2,2,5,9-tetramethyldeca-4,8-dien-1-ylidene]amino]urea
• IUPAC Traditional name: (E)-[(4E)-2,2,5,9-tetramethyldeca-4,8-dien-1-ylidene]aminourea

Database IDs

• PubChem SID: 164240598
• PubChem CID: 6875531

CALCULATED PROPERTIES

• Acid pKa: 11.9497385
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.381889
• LogD (pH = 7.4): 3.3820875
• Log P: 3.382101
• Molar Refractivity: 82.0246 cm^3
• Polarizability: 30.948824 Å^3
• Polar Surface Area: 67.48 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds