(13R)-N,6,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-7,18-dien-16-amine
PubChem CID: 5316035
Connections displayed (default: 10).
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| Topological Polar Surface Area | 24.4 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 593.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (13R)-N,6,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-7,18-dien-16-amine |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C22H34N2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CHMBCKMSXBNZSX-YOTCBVDASA-N |
| Fcsp3 | 0.8636363636363636 |
| Logs | -4.733 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.704 |
| Compound Name | (13R)-N,6,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-7,18-dien-16-amine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 326.272 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.272 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 326.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9404736 |
| Inchi | InChI=1S/C22H34N2/c1-14-18-6-7-20-17-5-4-15-12-16(23-3)8-10-21(15,2)19(17)9-11-22(18,20)13-24-14/h4,13-14,16-20,23H,5-12H2,1-3H3/t14?,16?,17?,18?,19?,20?,21-,22?/m0/s1 |
| Smiles | CC1C2CCC3C2(CCC4C3CC=C5[C@@]4(CCC(C5)NC)C)C=N1 |
| 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