Aminobutylhomospermidine
PubChem CID: 6452022
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Aminobutylhomospermidine, Abhomospd, 45185-87-3, N'-[4-(4-aminobutylamino)butyl]butane-1,4-diamine, 1,4-Butanediamine, N,N'-bis(4-aminobutyl)-, DTXSID60196413, N'-(4-(4-aminobutylamino)butyl)butane-1,4-diamine, 1,14-diamino-5,10-diazatetradecane, CHEMBL88138, SCHEMBL323273, DTXCID70118904 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 76.1 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Polyamines |
| Deep Smiles | NCCCCNCCCCNCCCCN |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Organonitrogen compounds |
| Classyfire Subclass | Amines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 106.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N'-[4-(4-aminobutylamino)butyl]butane-1,4-diamine |
| Veber Rule | False |
| Classyfire Superclass | Organic nitrogen compounds |
| Xlogp | -0.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H30N4 |
| Inchi Key | RPSHOHKFHRFBAZ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 13.0 |
| Synonyms | homospermine |
| Esol Class | Very soluble |
| Functional Groups | CN, CNC |
| Compound Name | Aminobutylhomospermidine |
| Exact Mass | 230.247 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 230.247 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 230.39 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H30N4/c13-7-1-3-9-15-11-5-6-12-16-10-4-2-8-14/h15-16H,1-14H2 |
| Smiles | C(CCNCCCCNCCCCN)CN |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Ornithine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Vicia Sativa (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729