SDF/Mol File of (1-amino-2-methylpropan-2-yl)(propan-2-yl)amine (C7H18N2)
Identification of (1-amino-2-methylpropan-2-yl)(propan-2-yl)amine Chemical Compound
Chemical Formula | C7H18N2 |
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Molecular Weight | 130.23122 g/mol |
IUPAC Name | (1-amino-2-methylpropan-2-yl)(propan-2-yl)amine |
SMILES String | CC(C)NC(C)(C)CN |
InChI | InChI=1S/C7H18N2/c1-6(2)9-7(3,4)5-8/h6,9H,5,8H2,1-4H3 |
InChIKey | ULZVZRVDMKHKAL-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of (1-amino-2-methylpropan-2-yl)(propan-2-yl)amine is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of (1-amino-2-methylpropan-2-yl)(propan-2-yl)amine molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying (1-amino-2-methylpropan-2-yl)(propan-2-yl)amine Molecule
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Chemical structure of (1-amino-2-methylpropan-2-yl)(propan-2-yl)amine
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (1-amino-2-methylpropan-2-yl)(propan-2-yl)amine is available in chemical structure page of (1-amino-2-methylpropan-2-yl)(propan-2-yl)amine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of (1-amino-2-methylpropan-2-yl)(propan-2-yl)amine
The molecular weight of (1-amino-2-methylpropan-2-yl)(propan-2-yl)amine is available in molecular weight page of (1-amino-2-methylpropan-2-yl)(propan-2-yl)amine, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of (1-amino-2-methylpropan-2-yl)(propan-2-yl)amine
The chemical formula of (1-amino-2-methylpropan-2-yl)(propan-2-yl)amine is given in chemical formula page of (1-amino-2-methylpropan-2-yl)(propan-2-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 (1-amino-2-methylpropan-2-yl)(propan-2-yl)amine
An alternative way of expressing structural information in text format is InChI. The full standard InChI of (1-amino-2-methylpropan-2-yl)(propan-2-yl)amine is:
InChI=1S/C7H18N2/c1-6(2)9-7(3,4)5-8/h6,9H,5,8H2,1-4H3
It can provide a standard way to encode the molecular information of (1-amino-2-methylpropan-2-yl)(propan-2-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 (1-amino-2-methylpropan-2-yl)(propan-2-yl)amine is:
InChIKey=ULZVZRVDMKHKAL-UHFFFAOYSA-N
The InChIKey may allow easier web searches for (1-amino-2-methylpropan-2-yl)(propan-2-yl)amine, but it needs to be linked to the full InChI to get back to the original structure of the (1-amino-2-methylpropan-2-yl)(propan-2-yl)amine since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of (1-amino-2-methylpropan-2-yl)(propan-2-yl)amine
The (1-amino-2-methylpropan-2-yl)(propan-2-yl)amine compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (1-amino-2-methylpropan-2-yl)(propan-2-yl)amine including the registry numbers are listed below, if available:
- 2-Methyl-N~2~-(propan-2-yl)propane-1,2-diamine
- 8306AH
- N2-Isopropyl-2-methyl-propane-1,2-diamine
- N2-isopropyl-2-methylpropane-1,2-diamine
- 16256-44-3
(1-amino-2-methylpropan-2-yl)(propan-2-yl)amine Identification Summary Frequently Asked Questions (FAQs)
What’s the (1-amino-2-methylpropan-2-yl)(propan-2-yl)amine formula? |
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C7H18N2 |
How many atoms and what elements are included in the (1-amino-2-methylpropan-2-yl)(propan-2-yl)amine molecule? |
27 atom(s) - 18 Hydrogen atom(s), 7 Carbon atom(s), and 2 Nitrogen atom(s) |
How many chemical bonds and what kind of bonds are in the (1-amino-2-methylpropan-2-yl)(propan-2-yl)amine structure? |
26 bond(s) - 8 non-H bond(s), 3 rotatable bond(s), 1 primary amine(s) (aliphatic), and 1 secondary amine(s) (aliphatic) |
What’s the (1-amino-2-methylpropan-2-yl)(propan-2-yl)amine’s molar mass? |
130.23122 g/mol |
What’s the SMILES structure of (1-amino-2-methylpropan-2-yl)(propan-2-yl)amine? |
CC(C)NC(C)(C)CN |
What’s the InChI code of (1-amino-2-methylpropan-2-yl)(propan-2-yl)amine? |
InChI=1S/C7H18N2/c1-6(2)9-7(3,4)5-8/h6,9H,5,8H2,1-4H3 |
What’s the InChIKey format of (1-amino-2-methylpropan-2-yl)(propan-2-yl)amine? |
ULZVZRVDMKHKAL-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).