4,4,8,8,11,11-Hexamethyl-3,7,10-triazatricyclo[7.3.0.02,6]dodeca-2,6,9-trien-1-ol
PubChem CID: 141483926
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| Compound Synonyms | CHEMBL4170436 |
|---|---|
| Topological Polar Surface Area | 57.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 552.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,4,8,8,11,11-hexamethyl-3,7,10-triazatricyclo[7.3.0.02,6]dodeca-2,6,9-trien-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 0.1 |
| Molecular Formula | C15H23N3O |
| Prediction Swissadme | 0.0 |
| Inchi Key | SVPKJPUOJDDZQM-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -3.4 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.813 |
| Compound Name | 4,4,8,8,11,11-Hexamethyl-3,7,10-triazatricyclo[7.3.0.02,6]dodeca-2,6,9-trien-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 261.184 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 261.184 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 261.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5360877999999998 |
| Inchi | InChI=1S/C15H23N3O/c1-12(2)7-9-10(17-12)15(19)8-13(3,4)18-11(15)14(5,6)16-9/h19H,7-8H2,1-6H3 |
| Smiles | CC1(CC2=NC(C3=NC(CC3(C2=N1)O)(C)C)(C)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anacyclus Pyrethrum (Plant) Rel Props:Source_db:cmaup_ingredients