1,9,13-Trimethyl-8-nonyl-1,5,9,13-tetrazacycloheptadecan-6-one
PubChem CID: 10455058
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| Compound Synonyms | SCHEMBL6316672 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 38.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCCCCCCCCCCCCC1 |
| Np Classifier Class | Polyamines |
| Deep Smiles | CCCCCCCCCCCC=O)NCCCNC)CCCCNCCCN%17C)))))C |
| Heavy Atom Count | 30.0 |
| Classyfire Class | Macrolactams |
| Scaffold Graph Node Level | OC1CCNCCCNCCCCNCCCN1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 418.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,9,13-trimethyl-8-nonyl-1,5,9,13-tetrazacycloheptadecan-6-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 5.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C25H52N4O |
| Scaffold Graph Node Bond Level | O=C1CCNCCCNCCCCNCCCN1 |
| Inchi Key | OAURMGVSLFVKFS-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 8.0 |
| Synonyms | budmunchiamine b |
| Esol Class | Moderately soluble |
| Functional Groups | CN(C)C, CNC(C)=O |
| Compound Name | 1,9,13-Trimethyl-8-nonyl-1,5,9,13-tetrazacycloheptadecan-6-one |
| Exact Mass | 424.414 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 424.414 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 424.7 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C25H52N4O/c1-5-6-7-8-9-10-11-16-24-23-25(30)26-17-14-20-27(2)18-12-13-19-28(3)21-15-22-29(24)4/h24H,5-23H2,1-4H3,(H,26,30) |
| Smiles | CCCCCCCCCC1CC(=O)NCCCN(CCCCN(CCCN1C)C)C |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Ornithine alkaloids |
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