| Canonical Smiles | CCC(C(OC)OC)N |
|---|---|
| IUPAC Name | 1,1-dimethoxybutan-2-amine |
| InChIKey | GFUOIQFPJDKRCI-UHFFFAOYSA-N |
| INCHI | 1S/C6H15NO2/c1-4-5(7)6(8-2)9-3/h5-6H,4,7H2,1-3H3 |
| Molecular Weight | 133.190 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acetals |
| Alternative Parents | Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Acetal - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as acetals. These are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups. |
| External Descriptors | Not available |
| Molecular Weight | 133.190 g/mol |
|---|---|
| XLogP3 | 0.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 133.11 Da |
| Monoisotopic Mass | 133.11 Da |
| Topological Polar Surface Area | 44.500 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 64.099 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
