9-(cyclopropylmethyl)-4-(3-methoxypropyl)-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one

• ChemBase ID: 849535
• Molecular Formular: C18H33N3O2
• Molecular Mass: 323.47352
• Monoisotopic Mass: 323.25727731
• SMILES: N1(C(=O)CCC2(N(CCN(C2)CCCOC)C)CC1)CC1CC1
• Canonical SMILES: COCCCN1CCN(C2(C1)CCC(=O)N(CC2)CC1CC1)C
• InChI: InChI=1S/C18H33N3O2/c1-19-11-12-20(9-3-13-23-2)15-18(19)7-6-17(22)21(10-8-18)14-16-4-5-16/h16H,3-15H2,1-2H3
• InChIKey: DYHBOHYKQOHGPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(cyclopropylmethyl)-4-(3-methoxypropyl)-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
• IUPAC Traditional name: 9-(cyclopropylmethyl)-4-(3-methoxypropyl)-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
• Synonyms: 9-(cyclopropylmethyl)-4-(3-methoxypropyl)-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.9669163
• LogD (pH = 7.4): -1.4987502
• Log P: 0.3468879
• Molar Refractivity: 93.4999 cm^3
• Polarizability: 36.64871 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.87
• LOG S: -2.3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 6