Thermospermine
PubChem CID: 194365
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| Compound Synonyms | Thermospermine, 70862-11-2, 1,12-Diamino-4,8-diazadodecane, N'-[3-(3-aminopropylamino)propyl]butane-1,4-diamine, CHEBI:59564, {3-[(4-AMINOBUTYL)AMINO]PROPYL}(3-AMINOPROPYL)AMINE, N-{3-[(3-aminopropyl)amino]propyl}butane-1,4-diamine, 1,4-Butanediamine,N1-[3-[(3-aminopropyl)amino]propyl]-, DTXSID00221096, N1-(3-(3-aminopropylamino)propyl)butane-1,4-diamine, N-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-1,4-DIAMINOBUTANE, N1-(3-((3-Aminopropyl)amino)propyl)butane-1,4-diamine, 1,4-Butanediamine, N-(3-((3-aminopropyl)amino)propyl)-, 1,4-Butanediamine, N-[3-[(3-aminopropyl)amino]propyl]-, N'-(3-(3-aminopropylamino)propyl)butane-1,4-diamine, N-(3-((3-aminopropyl)amino)propyl)butane-1,4-diamine, SCHEMBL333029, CHEMBL151993, DTXCID00143587, THERMOSPERMINE, PA(334), EX-A6687, AKOS028111177, BS-24492, HY-151224, CS-0609904, C19669, G90021, Q3984484, (4-aminobutyl)({3-[(3-aminopropyl)amino]propyl})amine |
|---|---|
| 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 | NCCCNCCCNCCCCN |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Organonitrogen compounds |
| Classyfire Subclass | Amines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 98.1 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N'-[3-(3-aminopropylamino)propyl]butane-1,4-diamine |
| Veber Rule | False |
| Classyfire Superclass | Organic nitrogen compounds |
| Xlogp | -1.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H26N4 |
| Inchi Key | DODDBCGMRAFLEB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 11.0 |
| Synonyms | thermospermine |
| Esol Class | Highly soluble |
| Functional Groups | CN, CNC |
| Compound Name | Thermospermine |
| Exact Mass | 202.216 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.216 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 202.34 |
| 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/C10H26N4/c11-5-1-2-7-13-9-4-10-14-8-3-6-12/h13-14H,1-12H2 |
| Smiles | C(CCNCCCNCCCN)CN |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Ornithine alkaloids |
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FOUND_INto/from Vicia Hirsuta (Plant) Rel Props:Reference:ISBN:9788172363093; ISBN:9788185042145 - 2. Outgoing r'ship
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