N,N-Dimethylhistamine
PubChem CID: 12656
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| Compound Synonyms | N,N-Dimethylhistamine, 673-46-1, 2-(1H-imidazol-5-yl)-N,N-dimethylethanamine, 4-(2-Dimethylaminoethyl)imidazole, SU-416, Na,Na-Dimethylhistamine, [2-(1H-imidazol-4-yl)ethyl]dimethylamine, N(sup alpha),N(sup alpha)-Dimethylhistamine, N',N'-Dimethylhistamine, 1H-Imidazole-4-ethanamine, N,N-dimethyl-, 132366-08-6, Imidazole, 4-[2-(dimethylamino)ethyl]-, IMIDAZOLE, 4-(2-(DIMETHYLAMINO)ETHYL)-, 4-(2-(Dimethylamino)ethyl)-Imidazole, 4-[2-(Dimethylamino)ethyl]-Imidazole, Hippospongine?, Dimethylhistamine, N-dimethylhistamine, N(alpha),N(alpha)-dimethylhistamine, CHEMBL12704, GTPL1270, SCHEMBL1239352, DTXSID30986565, Nalpha ,Nalpha -dimethylhistamine, CHEBI:178169, N-alpha,N-alpha-Dimethylhistamine, N-omega,N-omega-Dimethylhistamine, ZJDIMSMQXMWMCF-UHFFFAOYSA-N, N.alpha.,N.alpha.-Dimethylhistamine, N.omega.,N.omega.-Dimethylhistamine, AKOS006349678, N,N-Dimethyl-1H-Imidazole-4-ethanamine, NS00094417, 2-(3H-imidazol-4-yl)-N,N-dimethylethanamine, N,N-Dimethyl-1H-imidazole-4-ethanamine, 9CI, EN300-2000952, 2-(1H-Imidazol-4-yl)-N,N-dimethylethan-1-amine, 2-(1H-Imidazol-5-yl)-N,N-dimethylethan-1-amine, L024080, N-[2-(1H-Imidazol-4-yl)ethyl]-N,N-dimethylamine, N-[2-(1H-Imidazol-4-yl)ethyl]-N,N-dimethylamine #, Q27078073, NLaquo Omegaraquo ,Nlaquo Omegaraquo -dimethylhistamine |
|---|---|
| Topological Polar Surface Area | 31.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Description | Alkaloid from Coprinus comatus (shaggy ink cap) and Casimiroa edulis seeds (Mexican apple). Na,Na-Dimethylhistamine is found in mushrooms, pomes, and spinach. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 92.9 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P31389, P47747 |
| Iupac Name | 2-(1H-imidazol-5-yl)-N,N-dimethylethanamine |
| Prediction Hob | 1.0 |
| Class | Organonitrogen compounds |
| Xlogp | 0.3 |
| Superclass | Organic nitrogen compounds |
| Subclass | Amines |
| Molecular Formula | C7H13N3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZJDIMSMQXMWMCF-UHFFFAOYSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | 0.924 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.391 |
| Synonyms | 1H-Imidazole-4-ethanamine, N,N-dimethyl-, 4-(2-(dimethylamino)Ethyl)-imidazole, 4-(2-Dimethylaminoethyl)imidazole, 4-[2-(dimethylamino)Ethyl]-imidazole, Hippospongine?, Imidazole, 4-(2-(dimethylamino)ethyl)-, Imidazole, 4-[2-(dimethylamino)ethyl]-, N-[2-(1H-Imidazol-4-yl)ethyl]-N,N-dimethylamine, N,N-Dimethyl-1H-imidazole-4-ethanamine, N,N-Dimethyl-1H-imidazole-4-ethanamine, 9CI, N,n-dimethylhistamine, N',n'-dimethylhistamine, N(sup alpha),n(sup alpha)-dimethylhistamine, N&alpha, ,n&alpha, -dimethylhistamine, N«, omega», ,n«, omega», -dimethylhistamine, Na,Na-Dimethylhistamine, Nalpha ,nalpha -dimethylhistamine, NLaquo omegaraquo ,nlaquo omegaraquo -dimethylhistamine, N,N-Dimethyl-1H-imidazole-4-ethanamine, 9ci, N,N-Dimethylhistamine, nlaquo omegaraquo ,nlaquo omegaraquo -Dimethylhistamine, N,N-Dimethylhistamine hydrochloride, N(alpha),N(alpha)-Dimethylhistamine |
| Compound Name | N,N-Dimethylhistamine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 139.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 139.111 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 139.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Esol | -1.1270523999999997 |
| Inchi | InChI=1S/C7H13N3/c1-10(2)4-3-7-5-8-6-9-7/h5-6H,3-4H2,1-2H3,(H,8,9) |
| Smiles | CN(C)CCC1=CN=CN1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Aralkylamines |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Amomum Reticulatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Caralluma Russeliana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Casimiroa Edulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Dalbergia Monetaria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Espeletiopsis Purpurascens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Helianthus Californicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Plectranthus Hereroensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Polypodium Aureum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Spinacia Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all - 12. Outgoing r'ship
FOUND_INto/from Spiraea Prunifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Ursinia Anthemoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all