N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-1-propylpiperidin-4-amine

• ChemBase ID: 673107
• Molecular Formular: C18H34N2
• Molecular Mass: 278.47596
• Monoisotopic Mass: 278.2721991
• SMILES: N1(CCC(CC1)NC/C=C(/CCC=C(C)C)\C)CCC
• Canonical SMILES: CCCN1CCC(CC1)NC/C=C(/CCC=C(C)C)\C
• InChI: InChI=1S/C18H34N2/c1-5-13-20-14-10-18(11-15-20)19-12-9-17(4)8-6-7-16(2)3/h7,9,18-19H,5-6,8,10-15H2,1-4H3/b17-9+
• InChIKey: WWUIFXOEOGMQKZ-RQZCQDPDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-1-propylpiperidin-4-amine
• IUPAC Traditional name: N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-1-propylpiperidin-4-amine
• Synonyms: N-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-1-propyl-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8750688
• LogD (pH = 7.4): 0.45217115
• Log P: 3.7342184
• Molar Refractivity: 92.3379 cm^3
• Polarizability: 35.815792 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.33
• LOG S: -3.92
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 8