N6-Methylagmatine
PubChem CID: 196509
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| Compound Synonyms | N6-Methylagmatine, N(G)-Methylagmatine, 1-(4-aminobutyl)-2-methylguanidine, 77414-15-4, N-omega-Methylagmatine, N-(4-Aminobutyl)-N'-methylguanidine, N-methylagmatine, 6-methylagmatine, SCHEMBL21440948, DTXSID30998628, CHEBI:180701, 3-(4-aminobutyl)-1-methylguanidine, N-(4-Aminobutyl)-N'-methyl-Guanidine, Guanidine, N-(4-aminobutyl)-N'-methyl- |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 76.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Polyamines |
| Deep Smiles | C/N=C/NCCCCN))))))N |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Organonitrogen compounds |
| Description | Isolated from soybean and alfalfa. N6-Methylagmatine is found in soy bean, pulses, and common bean. |
| Classyfire Subclass | Guanidines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 99.9 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-aminobutyl)-2-methylguanidine |
| Class | Organonitrogen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic nitrogen compounds |
| Xlogp | -1.1 |
| Superclass | Organic nitrogen compounds |
| Subclass | Guanidines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H16N4 |
| Inchi Key | CEZLGLLDSAKBNX-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | Guanidine, N-(4-aminobutyl)-N'-methyl-, N-(4-Aminobutyl)-n'-methyl-guanidine, N-(4-Aminobutyl)-N'-methylguanidine, N-omega-methylagmatine, N(g)-methylagmatine, N6-Methylagmatine, N(g)-Methylagmatine, N-(4-Aminobutyl)-n'-methylguanidine, N-Omega-methylagmatine, n-methylagmatine, n6-methylagmatine |
| Esol Class | Highly soluble |
| Functional Groups | C/N=C(N)NC, CN |
| Compound Name | N6-Methylagmatine |
| Kingdom | Organic compounds |
| Exact Mass | 144.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 144.137 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 144.22 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H16N4/c1-9-6(8)10-5-3-2-4-7/h2-5,7H2,1H3,(H3,8,9,10) |
| Smiles | CN=C(N)NCCCCN |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Guanidines |
| Np Classifier Superclass | Ornithine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Arachis Hypogaea (Plant) Rel Props:Reference:ISBN:9788185042145 - 2. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Medicago Sativa (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729 - 4. Outgoing r'ship
FOUND_INto/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Psophocarpus Tetragonolobus (Plant) Rel Props:Reference:ISBN:9788185042145