1H-Imidazole-1-propanamine
PubChem CID: 78736
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| Compound Synonyms | 1-(3-Aminopropyl)imidazole, 5036-48-6, N-(3-Aminopropyl)-imidazole, 1H-Imidazole-1-propanamine, 3-(1H-Imidazol-1-Yl)Propan-1-Amine, N-(3-Aminopropyl)imidazole, 3-imidazol-1-ylpropan-1-amine, 1H-Imidazole-1-propylamine, MFCD00009819, 3-(1H-imidazol-1-yl)propylamine, EINECS 225-730-9, 1-(3-aminopropyl) imidazole, 1-(3-Aminopropyl)-imidazole, 3-(imidazol-1-yl)propylamine, DTXSID7063685, 1-(3-Aminopropyl)-1H-imidazole, EC 225-730-9, 1-[3-Aminopropyl]imidazole, Imidazole N-1 deriv. 9, 3-Imidazol-1-ylpropylamine, 3-(1H-Imidazol-1-yl)-1-propanamine, Lupragen API, 3-(aminopropyl)imidazole, N(3-aminopropyl)imidazole, 1H-imidazol-1-propanamine, 1H-imidazole-1-propaneamine, QN37N4JU4V, 3-(1-imidazolyl)propylamine, SCHEMBL78110, 1H-imidazole -1-propanamine, 3-Imidazol-1-yl-propylamine, N-(3-aminopropyl) imidazole, 1-(3'-aminopropyl)imidazole, 1-(3-amino-propyl)imidazole, 3-imidazole-1-yl-propylamine, 1-(3-Aminopropanyl)imidazole, (3-imidazol-1-yl)propylamine, 1-(3-amino-propyl) imidazol, 3-(1-imidazolyl)-propylamine, 3-imidazol-1-yl-propyl amine, 3-(1H-imidazol-yl)propanamine, BDBM7948, CHEMBL3984871, DTXCID6040822, 3-(1H-imidazol-1yl)propanamine, 3-(1H-imidazol-1yl)propylamine, Imidazole, 1-(3-aminopropyl)-, KDHWOCLBMVSZPG-UHFFFAOYSA-, 3-(1H-imidazol-l-yl)propanamine, CHEBI:194835, 3-(1H-imidazol-1-yl)propanamine, 3-(1H-imidazol-l-yl) propanamine, 3-(1h-1-imidazolyl)-1-propanamine, BBL027766, STL352283, [3-(1H-imidazol-1-yl)propyl]amine, 3-(1h-imidazol-1-yl)-1-propylamine, AKOS000119837, 1-(3-Aminopropyl)imidazole, >=97%, 3-(3H-imidazol-4-yl)propan-1-amine, FS-4066, 3-(1H-imidazole-1-yl)propan-1-amine, N-[3-(1H-Imidazol-1-yl)propyl]amine, 3-(1H-Imidazol-1-yl)-1-propanamine #, AC-16731, 3-(IMIDAZOL-1-YL)PROPAN-1-AMINE, DB-051761, A1185, CS-0072105, NS00009989, EN300-19571, F13668, F2190-0386, Z104474270, InChI=1/C6H11N3/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4,7H2, 225-730-9, QuadraPure(R) IMDAZ, 100-400 mum particle size, extent of labeling: 1.5 mmol/g loading, 1 % cross-linked with divinylbenzene |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 43.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Np Classifier Class | Imidazole alkaloids |
| Deep Smiles | NCCCncncc5 |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Azoles |
| Scaffold Graph Node Level | C1CNCN1 |
| Classyfire Subclass | Imidazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 74.7 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-imidazol-1-ylpropan-1-amine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -0.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H11N3 |
| Scaffold Graph Node Bond Level | c1c[nH]cn1 |
| Inchi Key | KDHWOCLBMVSZPG-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 1-(3-amino-propyl)-pyrollinium |
| Esol Class | Very soluble |
| Functional Groups | CN, cn(c)C, cnc |
| Compound Name | 1H-Imidazole-1-propanamine |
| Exact Mass | 125.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 125.095 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 125.17 |
| 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/C6H11N3/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4,7H2 |
| Smiles | C1=CN(C=N1)CCCN |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Histidine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Hordeum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279