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1-(3-(6,7-Dimethoxyisoquinolin-1-yl)propyl)guanidine

PubChem CID: 10062645

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Compound Synonyms 474304-18-2, 1-(3-(6,7-Dimethoxyisoquinolin-1-yl)propyl)guanidine, AGN-PC-0MY4H1, DTXSID10435041
Topological Polar Surface Area 95.8
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 21.0
Isotope Atom Count 0.0
Molecular Complexity 347.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2-[3-(6,7-dimethoxyisoquinolin-1-yl)propyl]guanidine
Prediction Hob 1.0
Xlogp 1.2
Molecular Formula C15H20N4O2
Prediction Swissadme 1.0
Inchi Key VRUYEFQLMTVERU-UHFFFAOYSA-N
Fcsp3 0.3333333333333333
Logs -1.731
Rotatable Bond Count 6.0
Logd 0.792
Compound Name 1-(3-(6,7-Dimethoxyisoquinolin-1-yl)propyl)guanidine
Prediction Hob Swissadme 1.0
Exact Mass 288.159
Formal Charge 0.0
Monoisotopic Mass 288.159
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 288.34
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -2.4820571523809525
Inchi InChI=1S/C15H20N4O2/c1-20-13-8-10-5-7-18-12(4-3-6-19-15(16)17)11(10)9-14(13)21-2/h5,7-9H,3-4,6H2,1-2H3,(H4,16,17,19)
Smiles COC1=C(C=C2C(=C1)C=CN=C2CCCN=C(N)N)OC
Nring 2.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Angylocalyx Braunii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Brachychiton Populneum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Chrysocoma Peduncularis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Cucumis Myriocarpus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Euphorbia Sieboldiana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Narthecium Asiaticum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Passiflora Edulis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Passiflora Foetida (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Phebalium Ambiens (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Stachyurus Himalaicus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Tripterygium Regelii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Tsuga Diversifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Vernonanthura Pinguis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Veronica Persica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Vismia Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Wedelia Scaberrima (Plant) Rel Props:Source_db:cmaup_ingredients
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