| Canonical Smiles | C1C2CC3CC1CC(C2)(C3)C4=CC(=NN4)N |
|---|---|
| IUPAC Name | 5-(1-adamantyl)-1H-pyrazol-3-amine |
| InChIKey | QQDOAENFCVMKSC-UHFFFAOYSA-N |
| INCHI | 1S/C13H19N3/c14-12-4-11(15-16-12)13-5-8-1-9(6-13)3-10(2-8)7-13/h4,8-10H,1-3,5-7H2,(H3,14,15,16) |
| Molecular Weight | 217.31 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Imidolactams |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Imidolactams |
| Alternative Parents | Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Imidolactam - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as imidolactams. These are cyclic organooxygen compounds containing the structure RC(=N)N where the central carbon atom and one of the linked nitrogen atoms are part of the same ring( R here is an organyl group). They can also be viewed as analogs of lactams where the oxygen atom is replaced by a nitrogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 217.310 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 217.158 Da |
| Monoisotopic Mass | 217.158 Da |
| Topological Polar Surface Area | 54.700 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 260.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
