Molecular Weight 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 |
Molecular Weight Description
The diethyl(pentan-3-yl)amine molecule consists of 21 Hydrogen atom(s), 9 Carbon atom(s), and 1 Nitrogen atom(s) - a total of 31 atom(s). The molecular weight of diethyl(pentan-3-yl)amine is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 143.26974 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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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, which provides the information on atoms, bonds, connectivity and coordinates of diethyl(pentan-3-yl)amine. The diethyl(pentan-3-yl)amine structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of diethyl(pentan-3-yl)amine
The molecular structure image of diethyl(pentan-3-yl)amine is available in chemical structure page of diethyl(pentan-3-yl)amine, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in diethyl(pentan-3-yl)amine and the chemical bonds that hold the atoms together.
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Chemical formula of diethyl(pentan-3-yl)amine
The molecular formula of diethyl(pentan-3-yl)amine is given in chemical formula page of diethyl(pentan-3-yl)amine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of diethyl(pentan-3-yl)amine
In addition to the molecular weight information, the structural information of diethyl(pentan-3-yl)amine in a textual expression is available via InChi. The full standard InChI of diethyl(pentan-3-yl)amine is given below:
InChI=1S/C9H21N/c1-5-9(6-2)10(7-3)8-4/h9H,5-8H2,1-4H3
It can provide a 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
It may allow easier web searches for diethyl(pentan-3-yl)amine. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the diethyl(pentan-3-yl)amine as 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
There may be different names of the diethyl(pentan-3-yl)amine compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
None available.
Diethyl(pentan-3-yl)amine Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of diethyl(pentan-3-yl)amine? |
|---|
| C9H21N |
| How many atoms and what are the elements in the diethyl(pentan-3-yl)amine molecule? |
| 31 atom(s) - 21 Hydrogen atom(s), 9 Carbon atom(s), and 1 Nitrogen atom(s) |
| How many chemical bonds and what types of bonds are 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 molar mass of diethyl(pentan-3-yl)amine? |
| 143.26974 g/mol |
| What’s the SMILES format of diethyl(pentan-3-yl)amine? |
| CCC(CC)N(CC)CC |
| What’s the InChI format 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 string 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).