4-N,4-N,9,13-tetramethyl-3,5,11,13-tetrazatricyclo[8.3.0.02,6]trideca-1,3,5,7,9,11-hexaene-4,12-diamine
PubChem CID: 23424726
Connections displayed (default: 10).
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| Topological Polar Surface Area | 72.9 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 335.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-N,4-N,9,13-tetramethyl-3,5,11,13-tetrazatricyclo[8.3.0.02,6]trideca-1,3,5,7,9,11-hexaene-4,12-diamine |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C13H16N6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YIJAFHDUNSPRKJ-UHFFFAOYSA-N |
| Fcsp3 | 0.3076923076923077 |
| Logs | -2.811 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.437 |
| Compound Name | 4-N,4-N,9,13-tetramethyl-3,5,11,13-tetrazatricyclo[8.3.0.02,6]trideca-1,3,5,7,9,11-hexaene-4,12-diamine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 256.144 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.144 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 256.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.608256389473684 |
| Inchi | InChI=1S/C13H16N6/c1-7-5-6-8-10(17-13(15-8)18(2)3)11-9(7)16-12(14)19(11)4/h5-6H,1-4H3,(H2,14,16) |
| Smiles | CC1=C2C(=C3C(=NC(=N3)N(C)C)C=C1)N(C(=N2)N)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hydrangea Umbellata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Thalictrum Hernandezii (Plant) Rel Props:Source_db:cmaup_ingredients