Formula of Diethyl(pentan-3-yl)amine (C9H21N)
Identification of Diethyl(pentan-3-yl)amine Chemical Compound
| Chemical Formula | C9H21N |
|---|---|
| Molecular Weight | 143.26974 g/mol |
| IUPAC Name | diethyl(pentan-3-yl)amine |
| SMILES String | CCC(CC)N(CC)CC |
| InChI | InChI=1S/C9H21N/c1-5-9(6-2)10(7-3)8-4/h9H,5-8H2,1-4H3 |
| InChIKey | XQNPPJUYXDHJGI-UHFFFAOYSA-N |
Chemical Formula Description
The diethyl(pentan-3-yl)amine molecule contains a total of 31 atom(s). There are 21 Hydrogen atom(s), 9 Carbon atom(s), and 1 Nitrogen atom(s). A chemical formula of diethyl(pentan-3-yl)amine can therefore be written as:
C9H21N
The chemical formula of diethyl(pentan-3-yl)amine shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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Additional Information for Identifying Diethyl(pentan-3-yl)amine Molecule
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Structure Data File (SDF/MOL File) of diethyl(pentan-3-yl)amine
The structure data file (SDF/MOL File) of diethyl(pentan-3-yl)amine is available for download in the SDF page of diethyl(pentan-3-yl)amine providing the information about the atoms, bonds, connectivity and coordinates of diethyl(pentan-3-yl)amine, which is not completely available in the chemical formula representation. The diethyl(pentan-3-yl)amine structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of diethyl(pentan-3-yl)amine
The chemical structure image of diethyl(pentan-3-yl)amine is available in chemical structure page of diethyl(pentan-3-yl)amine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of diethyl(pentan-3-yl)amine and the chemical bonds that hold the atoms together.
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Molecular weight of diethyl(pentan-3-yl)amine
The molecular weight of diethyl(pentan-3-yl)amine is available in molecular weight page of diethyl(pentan-3-yl)amine, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of diethyl(pentan-3-yl)amine.
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InChI (IUPAC International Chemical Identifier) information of diethyl(pentan-3-yl)amine
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of diethyl(pentan-3-yl)amine is:
InChI=1S/C9H21N/c1-5-9(6-2)10(7-3)8-4/h9H,5-8H2,1-4H3
It can provide a standard way to encode the molecular information of diethyl(pentan-3-yl)amine to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of diethyl(pentan-3-yl)amine is:
InChIKey=XQNPPJUYXDHJGI-UHFFFAOYSA-N
The InChIKey may allow easier web searches for diethyl(pentan-3-yl)amine, but it needs to be linked to the full InChI to get back to the original structure of the diethyl(pentan-3-yl)amine since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of diethyl(pentan-3-yl)amine
The diethyl(pentan-3-yl)amine compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of diethyl(pentan-3-yl)amine including the registry numbers is given below, if available:
None available.
Diethyl(pentan-3-yl)amine Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of diethyl(pentan-3-yl)amine? |
|---|
| C9H21N |
| How many atoms and what are they in the diethyl(pentan-3-yl)amine structure? |
| 31 atom(s) - 21 Hydrogen atom(s), 9 Carbon atom(s), and 1 Nitrogen atom(s) |
| How many chemical bonds and what are they in the diethyl(pentan-3-yl)amine structure? |
| 30 bond(s) - 9 non-H bond(s), 5 rotatable bond(s), and 1 tertiary amine(s) (aliphatic) |
| What’s the molecular weight of diethyl(pentan-3-yl)amine? |
| 143.26974 g/mol |
| What’s the SMILES string of diethyl(pentan-3-yl)amine? |
| CCC(CC)N(CC)CC |
| What’s the InChI of diethyl(pentan-3-yl)amine? |
| InChI=1S/C9H21N/c1-5-9(6-2)10(7-3)8-4/h9H,5-8H2,1-4H3 |
| What’s the InChIKey of diethyl(pentan-3-yl)amine? |
| XQNPPJUYXDHJGI-UHFFFAOYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).