1-cycloheptylpiperidin-3-amine

• ChemBase ID: 411377
• Molecular Formular: C12H24N2
• Molecular Mass: 196.33236
• Monoisotopic Mass: 196.19394878
• SMILES: N1(CC(N)CCC1)C1CCCCCC1
• Canonical SMILES: NC1CCCN(C1)C1CCCCCC1
• InChI: InChI=1S/C12H24N2/c13-11-6-5-9-14(10-11)12-7-3-1-2-4-8-12/h11-12H,1-10,13H2
• InChIKey: COVKJYPACMRCGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cycloheptylpiperidin-3-amine
• IUPAC Traditional name: 1-cycloheptylpiperidin-3-amine
• Synonyms: 1-cycloheptyl-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.037085
• LogD (pH = 7.4): -0.8936793
• Log P: 2.1025894
• Molar Refractivity: 60.7643 cm^3
• Polarizability: 24.457176 Å^3
• Polar Surface Area: 29.26 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: 2.6
• LOG S: -1.85
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1