Methylguanidine
PubChem CID: 10111
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| Compound Synonyms | METHYLGUANIDINE, 1-methylguanidine, 471-29-4, N-Methylguanidine, Methylguanidin, Guanidine, methyl-, Monomethylguanidine, 2-methylguanidine, Monomethyl guanidin, N1-Methylguanidine, N-Methylguanidine-d3, 5L0H5Q9VAG, MGX, Methylguanidin [German], Monomethyl guanidin [German], EINECS 207-438-3, UNII-5L0H5Q9VAG, 2-Methylguanidin, methyl- guanidine, N-Methyl guanidine, METHYLGUANDINE, METHYLGUANIDINE [MI], DTXSID4020872, CHEBI:16628, BBL011356, STL146448, AKOS005720837, NS00043232, EN300-21662, C02294, R016192, Q27102005 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 64.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CN=CN)N |
| Heavy Atom Count | 5.0 |
| Classyfire Class | Organonitrogen compounds |
| Description | Methylguanidine (MG) is a guanidine compound deriving from protein catabolism. It is also a product of putrefaction. Methylguanidine is a suspected uraemic toxin that accumulates in renal failure, however it also exhibits anti-inflammatory effects. Methylguanidine is synthesized from creatinine concomitant with the synthesis of hydrogen peroxide from endogenous substrates in peroxisomes. Recent evidence suggests that methylguanidine significantly inhibits iNOS activity and TNF- release. This means that methylguandine can attenuate the degree of inflammation and tissue damage associated with endotoxic shock. Methylguanidine is found in loquat and apple. |
| Classyfire Subclass | Guanidines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 42.9 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylguanidine |
| Class | Organonitrogen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic nitrogen compounds |
| Xlogp | -1.3 |
| Superclass | Organic nitrogen compounds |
| Subclass | Guanidines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C2H7N3 |
| Inchi Key | CHJJGSNFBQVOTG-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Synonyms | 1-methylguanidine, Guanidine, methyl-, Methylguanidin, Methylguanidine, MGX, Monomethyl guanidin, Monomethylguanidine, N-methylguanidine, N1-Methylguanidine, 1-METHYLGUANIDINE, N-Methylguanidine, methylguanidine |
| Esol Class | Highly soluble |
| Functional Groups | CN=C(N)N |
| Compound Name | Methylguanidine |
| Kingdom | Organic compounds |
| Exact Mass | 73.064 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 73.064 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 73.1 |
| 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/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5) |
| Smiles | CN=C(N)N |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Guanidines |
- 1. Outgoing r'ship
FOUND_INto/from Diospyros Melanoxylon (Plant) Rel Props:Reference:ISBN:9788172361150 - 2. Outgoing r'ship
FOUND_INto/from Eriobotrya Japonica (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Malus Domestica (Plant) Rel Props:Source_db:fooddb_chem_all