(1R,2S,5S,6S,9R,12S,13S,16R,18S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosan-16-amine
PubChem CID: 102093823
Connections displayed (default: 10).
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| Topological Polar Surface Area | 6.5 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 558.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | (1R,2S,5S,6S,9R,12S,13S,16R,18S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosan-16-amine |
| Prediction Hob | 1.0 |
| Xlogp | 5.7 |
| Molecular Formula | C24H42N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZUKZAQFFEBCYLE-HMSQGDENSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.21 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.602 |
| Compound Name | (1R,2S,5S,6S,9R,12S,13S,16R,18S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosan-16-amine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 358.335 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 358.335 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 358.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.5758068000000005 |
| Inchi | InChI=1S/C24H42N2/c1-16-20-8-9-22-19-7-6-17-14-18(25(3)4)10-12-23(17,2)21(19)11-13-24(20,22)15-26(16)5/h16-22H,6-15H2,1-5H3/t16-,17-,18+,19+,20+,21-,22-,23-,24-/m0/s1 |
| Smiles | C[C@H]1[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@H](C5)N(C)C)C)CN1C |
| 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