N-methyl-N-[3-(oxolan-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine

• ChemBase ID: 498353
• Molecular Formular: C18H34N2O
• Molecular Mass: 294.47536
• Monoisotopic Mass: 294.26711372
• SMILES: N1CCC2(CCC(N(CCCC3OCCC3)C)CC2)CC1
• Canonical SMILES: CN(C1CCC2(CC1)CCNCC2)CCCC1CCCO1
• InChI: InChI=1S/C18H34N2O/c1-20(14-2-4-17-5-3-15-21-17)16-6-8-18(9-7-16)10-12-19-13-11-18/h16-17,19H,2-15H2,1H3
• InChIKey: YMJIBEVNIBLISS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[3-(oxolan-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine
• IUPAC Traditional name: N-methyl-N-[3-(oxolan-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine
• Synonyms: N-methyl-N-[3-(tetrahydrofuran-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.291923
• LogD (pH = 7.4): -3.4348333
• Log P: 2.4324734
• Molar Refractivity: 89.0209 cm^3
• Polarizability: 35.45718 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.51
• LOG S: -2.48
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 5