N-(2,3-dihydro-1H-inden-2-yl)-1,9-dioxaspiro[5.5]undecan-4-amine

• ChemBase ID: 476228
• Molecular Formular: C18H25NO2
• Molecular Mass: 287.3966
• Monoisotopic Mass: 287.18852905
• SMILES: C1(NC2CC3(OCC2)CCOCC3)Cc2c(C1)cccc2
• Canonical SMILES: O1CCC2(CC1)OCCC(C2)NC1Cc2c(C1)cccc2
• InChI: InChI=1S/C18H25NO2/c1-2-4-15-12-17(11-14(15)3-1)19-16-5-8-21-18(13-16)6-9-20-10-7-18/h1-4,16-17,19H,5-13H2
• InChIKey: UEAHYGWXVNBJDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-2-yl)-1,9-dioxaspiro[5.5]undecan-4-amine
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-2-yl)-1,9-dioxaspiro[5.5]undecan-4-amine
• Synonyms: 2,3-dihydro-1H-inden-2-yl(1,9-dioxaspiro[5.5]undec-4-yl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.463018
• LogD (pH = 7.4): -0.94433606
• Log P: 1.7660524
• Molar Refractivity: 83.8814 cm^3
• Polarizability: 32.997852 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.36
• LOG S: -2.81
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 2