(5S,9R,13R,16S)-N,N,6,13-tetramethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine
PubChem CID: 5316036
Connections displayed (default: 10).
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| Topological Polar Surface Area | 15.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 581.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (5S,9R,13R,16S)-N,N,6,13-tetramethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine |
| Prediction Hob | 0.0 |
| Xlogp | 4.4 |
| Molecular Formula | C23H38N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PHYSDIZFXRPRAH-XFWYZGLNSA-N |
| Fcsp3 | 0.9130434782608696 |
| Logs | -4.426 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.408 |
| Compound Name | (5S,9R,13R,16S)-N,N,6,13-tetramethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.303 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.303 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 342.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.663640200000001 |
| Inchi | InChI=1S/C23H38N2/c1-15-19-7-8-21-18-6-5-16-13-17(25(3)4)9-11-22(16,2)20(18)10-12-23(19,21)14-24-15/h5,15,17-21,24H,6-14H2,1-4H3/t15?,17-,18?,19+,20?,21?,22-,23-/m0/s1 |
| Smiles | CC1[C@H]2CCC3[C@@]2(CCC4C3CC=C5[C@@]4(CC[C@@H](C5)N(C)C)C)CN1 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Holarrhena Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients