Norspermine
PubChem CID: 78350
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| Compound Synonyms | 4605-14-5, Norspermine, N,N'-Bis(3-aminopropyl)-1,3-propanediamine, 1,3-Propanediamine, N,N'-bis(3-aminopropyl)-, 3,3,3-tetramine, THERMINE, N,N'-Bis(3-aminopropyl)propane-1,3-diamine, 1,5,9,13-Tetraazatridecane, N1,N1'-(Propane-1,3-diyl)bis(propane-1,3-diamine), AI3-61617, N'-[3-(3-aminopropylamino)propyl]propane-1,3-diamine, CHEBI:45718, EINECS 225-007-8, 3,3,3-tet, DTXSID4063533, 1,11-diamino-4,8-diazaundecane, 1,3-Propanediamine, N1,N3-bis(3-aminopropyl)-, N,N'-Bis[3-aminopropyl]-1,3-propanediamine, N'-(3-(3-aminopropylamino)propyl)propane-1,3-diamine, tripropylenetetramine, CHEMBL91193, SCHEMBL181589, DTXCID4040470, GEO-00328, AKOS005254399, FB03015, GS-0593, HY-W090915, propane, 1,3-bis(3-aminopropyl)amino-, NCI60_038153, DB-051350, CS-0133806, NS00031581, C21004, G86239, 3-aminopropyl-[3-(3-aminopropylamino)propyl]amine, N1,N1'-(propane-1,3-diyl)dipropane-1,3-diamine, Q3878509, (3-aminopropyl)({3-[(3-aminopropyl)amino]propyl})amine, N1-[3-(3-Amino-propylamino)-propyl]-propane-1,3-diamine, N,N'-Bis(3-aminopropyl)-1,3-propanediamine, technical grade, 90%, 225-007-8 |
|---|---|
| Ghose Rule | False |
| 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 | NCCCNCCCNCCCN |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Organonitrogen compounds |
| Description | Norspermine, also known as 1,5,9,13-tetraazatridecane or 3,3,3-tet, is a member of the class of compounds known as dialkylamines. Dialkylamines are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen. Norspermine is slightly soluble (in water) and a very strong basic compound (based on its pKa). Norspermine can be found in a number of food items such as sunflower, oat, saskatoon berry, and garden tomato (variety), which makes norspermine a potential biomarker for the consumption of these food products. |
| Classyfire Subclass | Amines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 77.7 |
| Database Name | fooddb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N'-[3-(3-aminopropylamino)propyl]propane-1,3-diamine |
| Veber Rule | True |
| Classyfire Superclass | Organic nitrogen compounds |
| Xlogp | -1.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H24N4 |
| Inchi Key | ZAXCZCOUDLENMH-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 10.0 |
| Synonyms | norspermine |
| Esol Class | Highly soluble |
| Functional Groups | CN, CNC |
| Compound Name | Norspermine |
| Exact Mass | 188.2 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 188.2 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 188.31 |
| 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/C9H24N4/c10-4-1-6-12-8-3-9-13-7-2-5-11/h12-13H,1-11H2 |
| Smiles | C(CN)CNCCCNCCCN |
| 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 Medicago Sativa (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9788172362461 - 2. Outgoing r'ship
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