9-butyl-3,9-diazaspiro[5.6]dodecane

• ChemBase ID: 370600
• Molecular Formular: C14H28N2
• Molecular Mass: 224.38552
• Monoisotopic Mass: 224.22524891
• SMILES: N1(CCC2(CCC1)CCNCC2)CCCC
• Canonical SMILES: CCCCN1CCCC2(CC1)CCNCC2
• InChI: InChI=1S/C14H28N2/c1-2-3-11-16-12-4-5-14(8-13-16)6-9-15-10-7-14/h15H,2-13H2,1H3
• InChIKey: RVXNXRWTMIALHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-butyl-3,9-diazaspiro[5.6]dodecane
• IUPAC Traditional name: 9-butyl-3,9-diazaspiro[5.6]dodecane
• Synonyms: 9-butyl-3,9-diazaspiro[5.6]dodecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.3988223
• LogD (pH = 7.4): -2.7877088
• Log P: 2.2561252
• Molar Refractivity: 70.8586 cm^3
• Polarizability: 28.150137 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.11
• LOG S: -2.49
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3