N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-azaspiro[5.5]undecan-9-amine

• ChemBase ID: 502170
• Molecular Formular: C17H29N3S
• Molecular Mass: 307.49726
• Monoisotopic Mass: 307.20821894
• SMILES: n1c(c(sc1)CCCNC1CCC2(CC1)CCNCC2)C
• Canonical SMILES: Cc1ncsc1CCCNC1CCC2(CC1)CCNCC2
• InChI: InChI=1S/C17H29N3S/c1-14-16(21-13-20-14)3-2-10-19-15-4-6-17(7-5-15)8-11-18-12-9-17/h13,15,18-19H,2-12H2,1H3
• InChIKey: ZSAWGDFULBUQNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-azaspiro[5.5]undecan-9-amine
• IUPAC Traditional name: N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-azaspiro[5.5]undecan-9-amine
• Synonyms: N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-azaspiro[5.5]undecan-9-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.033506
• LogD (pH = 7.4): -3.2022982
• Log P: 2.4338193
• Molar Refractivity: 89.6681 cm^3
• Polarizability: 35.315037 Å^3
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.0
• LOG S: -2.14
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 5