5-normethylbudmunchiamine K
PubChem CID: 44566834
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| Compound Synonyms | 5-normethylbudmunchiamine K, CHEMBL460761 |
|---|---|
| Topological Polar Surface Area | 47.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 473.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,13-dimethyl-8-pentadecyl-1,5,9,13-tetrazacycloheptadecan-6-one |
| Prediction Hob | 0.0 |
| Xlogp | 8.1 |
| Molecular Formula | C30H62N4O |
| Prediction Swissadme | 0.0 |
| Inchi Key | CPTVXANOOLZOCG-UHFFFAOYSA-N |
| Fcsp3 | 0.9666666666666668 |
| Logs | -3.177 |
| Rotatable Bond Count | 14.0 |
| Logd | 3.985 |
| Compound Name | 5-normethylbudmunchiamine K |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 494.492 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 494.492 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 494.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.213088600000002 |
| Inchi | InChI=1S/C30H62N4O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-29-28-30(35)32-23-20-27-34(3)25-18-17-24-33(2)26-19-22-31-29/h29,31H,4-28H2,1-3H3,(H,32,35) |
| Smiles | CCCCCCCCCCCCCCCC1CC(=O)NCCCN(CCCCN(CCCN1)C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Albizia Gummifera (Plant) Rel Props:Source_db:cmaup_ingredients