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8-Methyl-8-azabicyclo[3.2.1]octan-3-ol

PubChem CID: 8424

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Compound Synonyms Tropine, 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, 3-Tropanol, 7432-10-2, Tropanol, 3alpha-Tropanol, 3.alpha.-Tropanol, NSC43870, NSC43871, 8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, endo-, 8-Azabicyclo(3.2.1)octanol, 8-methyl-, 2,3-Dihydro-3.alpha.-hydroxytropidine, 1.alpha.H,5.alpha.H-Tropan-3.alpha.-ol, 2,3-Dihydro-3alpha-hydroxytropidine, NSC 43870, 1-Methyl-2,5-(2-hydroxytrimethylene)pyrrolidine, 3.beta.-Tropanol, 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 8-Azabicyclo[3.2.1]octanol, 8-methyl-, N-Tropine (trans), b-Tropine, NSC-43870, NSC-43871, tropan-3-ol, 8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, exo-, Prestwick0_001077, Prestwick1_001077, Prestwick2_001077, Prestwick3_001077, bmse000974, Oprea1_099397, SCHEMBL38978, BSPBio_001094, rel-(1R,3s,5S)-8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, SPBio_002997, BPBio1_001204, CHEMBL113555, DTXSID70859224, HMS1571G16, HMS1661L14, HMS2098G16, HY-N7061, NSC241183, STL377773, AKOS005267127, AKOS015955557, AC-1979, AC-1980, CCG-208541, CS-W016435, FT28616, NSC-241183, NCGC00179307-01, AS-13524, AS-13829, SY005218, 1alphaH,5alphaH-Tropan-3alpha-ol (8CI), DB-220048, N-Methyl-8-azabicyclo[3.2.1]octan-3-ol, 8-Methyl-8-aza-bicyclo[3.2.1]octan-3-ol, 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, , AB00514033, CS-0369298, C00729, C02066, EN300-223936, 2,3-Dihydro-3alpha-hydroxy-8-methylnortropidine, 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, endo-, endo-8-Azabicyclo[3.2.1]-3-octanol, 8-methyl-, SR-05000002205, SR-05000002205-2, F0001-2567, 0AC9FE9A-C292-490C-A504-EA261C257333, 2,3-Dihydro-3?-hydroxytropidine, 2,3-Dihydro-3?-hydroxy-8-methylnortropidine, InChI=1/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H
Topological Polar Surface Area 23.5
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 10.0
Description Pseudotropine, also known as tropine hydrochloride, (endo)-isomer or tropine, (exo)-isomer, is a member of the class of compounds known as tropane alkaloids. Tropane alkaloids are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane. Pseudotropine is soluble (in water) and an extremely weak acidic compound (based on its pKa). Pseudotropine can be found in a number of food items such as winter savory, japanese chestnut, blackcurrant, and black walnut, which makes pseudotropine a potential biomarker for the consumption of these food products. Pseudotropine (3β-tropanol, ψ-tropine, 3-pseudotropanol or PTO) is a derivative of tropane and an isomer of tropine .
Isotope Atom Count 0.0
Molecular Complexity 123.0
Database Name cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a.
Iupac Name 8-methyl-8-azabicyclo[3.2.1]octan-3-ol
Nih Violation False
Prediction Hob 1.0
Xlogp 0.8
Is Pains False
Molecular Formula C8H15NO
Prediction Swissadme 0.0
Inchi Key CYHOMWAPJJPNMW-UHFFFAOYSA-N
Fcsp3 1.0
Rotatable Bond Count 0.0
Compound Name 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol
Prediction Hob Swissadme 0.0
Exact Mass 141.115
Formal Charge 0.0
Brenk Violation False
Monoisotopic Mass 141.115
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 141.21
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol -1.1880267999999998
Inchi InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3
Smiles CN1C2CCC1CC(C2)O
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Amaryllis Belladonna (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Atropa Acuminata (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Atropa Belladona (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Atropa Belladonna (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Datura Alba (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Datura Arborea (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Datura Fastuosa (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Datura Ferox (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Datura Innoxia (Plant) Rel Props:Source_db:npass_chem_all; Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Datura Metel (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Datura Quercifolia (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Datura Stramonium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Datura Tatula (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Datura Wrightii (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Dracocephalum Stramonium (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Linum Album (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Linum Catharticum (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Linum Crispum (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Linum Perenne (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Linum Usitatissimum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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