N-Methylputrescine
PubChem CID: 439791
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | N-Methylputrescine, 14475-60-6, (4-aminobutyl)(methyl)amine, 1,4-Butanediamine, N1-methyl-, N-methylbutane-1,4-diamine, N'-methylbutane-1,4-diamine, N1-methyl-1,4-Butanediamine, 1,4-Butanediamine, N-methyl-, N-methyl-1,4-Butanediamine, N-Methyl-1,4-diaminobutane, 1-Amino-4-methylaminobutane, N-Methylputrescinium, Y53JBS3498, UNII-Y53JBS3498, CHEBI:17166, Putrescine, N-methyl-, 4-aminobutyl-methyl-amine, 4-amino-butyl-methyl-amine, C02723, SCHEMBL180051, DTXSID401310169, AKOS009159150, EN300-115101, Q27102245, 1C080A63-CB94-456C-AA95-DAEF533A9299 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 38.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Polyamines |
| Deep Smiles | CNCCCCN |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Organonitrogen compounds |
| Description | N-Methylputrescine is a byproduct of putrescine (a diamine), via methylation by putrescine N-methyltransferase (PMT, EC 2.1.1.53). N-methylputrescine is able to affect protein synthesis to a small extent in stimulated H-35 hepatoma cells, being an inhibitor of cellular insulin-induced ornithine decarboxylase activity. (PMID: 2051998). Putrescine is related to cadaverine (another polyamine). Both are produced by the breakdown of amino acids in living and dead organisms and both are toxic in large doses. Putrescine and cadaverine are largely responsible for the foul odor of putrefying flesh, but also contribute to the odor of such processes as bad breath and bacterial vaginosis. Putrescine is also found in semen. Putrescine attacks s-adenosyl methionine and converts it to spermidine. Spermidine in turn attacks another s-adenosyl methionine and converts it to spermine. Putrescine is synthesized in small quantities by healthy living cells by the action of ornithine decarboxylase. [HMDB] |
| Classyfire Subclass | Amines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 29.3 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q16853, O75106 |
| Iupac Name | N'-methylbutane-1,4-diamine |
| Class | Amines |
| Veber Rule | True |
| Classyfire Superclass | Organic nitrogen compounds |
| Xlogp | -0.4 |
| Superclass | Organonitrogen compounds |
| Subclass | Secondary amines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H14N2 |
| Inchi Key | RMIVMBYMDISYFZ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | 1-Amino-4-methylaminobutane, N-methyl-1,4-Butanediamine, N-Methyl-1,4-diaminobutane, N-methylbutane-1,4-diamine, N-Methylputrescinium, N1-methyl-1,4-Butanediamine, N-Methyl-1,4-butanediamine, N-Methylbutane-1,4-diamine, N1-Methyl-1,4-butanediamine, n-methylputrescine |
| Substituent Name | Secondary aliphatic amine, Hydrocarbon derivative, Primary amine, Primary aliphatic amine, Aliphatic acyclic compound |
| Esol Class | Highly soluble |
| Functional Groups | CN, CNC |
| Compound Name | N-Methylputrescine |
| Kingdom | Organic compounds |
| Exact Mass | 102.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 102.116 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 102.18 |
| 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/C5H14N2/c1-7-5-3-2-4-6/h7H,2-6H2,1H3 |
| Smiles | CNCCCCN |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Dialkylamines |
| Np Classifier Superclass | Ornithine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Atropa Belladonna (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/24197009