6,7,13-Trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine
PubChem CID: 5317060
Connections displayed (default: 10).
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| Topological Polar Surface Area | 29.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 568.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C22H36N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MDZRHDNUSKCTSP-UHFFFAOYSA-N |
| Fcsp3 | 0.9090909090909092 |
| Logs | -4.151 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.866 |
| Compound Name | 6,7,13-Trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.288 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.288 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 328.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.3213728 |
| Inchi | InChI=1S/C22H36N2/c1-14-18-6-7-20-17-5-4-15-12-16(23)8-10-21(15,2)19(17)9-11-22(18,20)13-24(14)3/h4,14,16-20H,5-13,23H2,1-3H3 |
| Smiles | CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)N)C)CN1C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Austrotaxus Spicata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Holarrhena Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients