1-cycloheptanecarbonylazepan-3-amine

• ChemBase ID: 554048
• Molecular Formular: C14H26N2O
• Molecular Mass: 238.36904
• Monoisotopic Mass: 238.20451346
• SMILES: N1(C(=O)C2CCCCCC2)CC(N)CCCC1
• Canonical SMILES: NC1CCCCN(C1)C(=O)C1CCCCCC1
• InChI: InChI=1S/C14H26N2O/c15-13-9-5-6-10-16(11-13)14(17)12-7-3-1-2-4-8-12/h12-13H,1-11,15H2
• InChIKey: JYLDZIHVCUJXOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cycloheptanecarbonylazepan-3-amine
• IUPAC Traditional name: 1-cycloheptanecarbonylazepan-3-amine
• Synonyms: 1-(cycloheptylcarbonyl)azepan-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.89132684
• LogD (pH = 7.4): 0.10888823
• Log P: 2.088284
• Molar Refractivity: 69.8245 cm^3
• Polarizability: 27.793371 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.4
• LOG S: -2.99
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1