SDF/Mol File of (2E)-N-(2,6-dimethylphenyl)pyrrolidin-2-imine (C12H16N2)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying (2E)-N-(2,6-dimethylphenyl)pyrrolidin-2-imine Molecule

• Chemical structure of (2E)-N-(2,6-dimethylphenyl)pyrrolidin-2-imine

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (2E)-N-(2,6-dimethylphenyl)pyrrolidin-2-imine is available in chemical structure page of (2E)-N-(2,6-dimethylphenyl)pyrrolidin-2-imine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of (2E)-N-(2,6-dimethylphenyl)pyrrolidin-2-imine

  The molecular weight of (2E)-N-(2,6-dimethylphenyl)pyrrolidin-2-imine is available in molecular weight page of (2E)-N-(2,6-dimethylphenyl)pyrrolidin-2-imine, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of (2E)-N-(2,6-dimethylphenyl)pyrrolidin-2-imine

  The chemical formula of (2E)-N-(2,6-dimethylphenyl)pyrrolidin-2-imine is given in chemical formula page of (2E)-N-(2,6-dimethylphenyl)pyrrolidin-2-imine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of (2E)-N-(2,6-dimethylphenyl)pyrrolidin-2-imine

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of (2E)-N-(2,6-dimethylphenyl)pyrrolidin-2-imine is:

  InChI=1S/C12H16N2/c1-9-5-3-6-10(2)12(9)14-11-7-4-8-13-11/h3,5-6H,4,7-8H2,1-2H3,(H,13,14)

  It can provide a standard way to encode the molecular information of (2E)-N-(2,6-dimethylphenyl)pyrrolidin-2-imine 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 (2E)-N-(2,6-dimethylphenyl)pyrrolidin-2-imine is:

  InChIKey=SMJJQXVEBDICDZ-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for (2E)-N-(2,6-dimethylphenyl)pyrrolidin-2-imine, but it needs to be linked to the full InChI to get back to the original structure of the (2E)-N-(2,6-dimethylphenyl)pyrrolidin-2-imine since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of (2E)-N-(2,6-dimethylphenyl)pyrrolidin-2-imine

  The (2E)-N-(2,6-dimethylphenyl)pyrrolidin-2-imine compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (2E)-N-(2,6-dimethylphenyl)pyrrolidin-2-imine including the registry numbers are listed below, if available:

  
  
  None available.

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(2E)-N-(2,6-dimethylphenyl)pyrrolidin-2-imine Identification Summary Frequently Asked Questions (FAQs)

What’s the (2E)-N-(2,6-dimethylphenyl)pyrrolidin-2-imine formula?
C12H16N2
How many atoms and what elements are included in the (2E)-N-(2,6-dimethylphenyl)pyrrolidin-2-imine molecule?
30 atom(s) - 16 Hydrogen atom(s), 12 Carbon atom(s), and 2 Nitrogen atom(s)
How many chemical bonds and what kind of bonds are in the (2E)-N-(2,6-dimethylphenyl)pyrrolidin-2-imine structure?
31 bond(s) - 15 non-H bond(s), 7 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 amidine derivative(s), and 1 secondary amine(s) (aliphatic)
What’s the (2E)-N-(2,6-dimethylphenyl)pyrrolidin-2-imine’s molar mass?
188.26884 g/mol
What’s the SMILES structure of (2E)-N-(2,6-dimethylphenyl)pyrrolidin-2-imine?
Cc1cccc(C)c1N=C2CCCN2
What’s the InChI code of (2E)-N-(2,6-dimethylphenyl)pyrrolidin-2-imine?
InChI=1S/C12H16N2/c1-9-5-3-6-10(2)12(9)14-11-7-4-8-13-11/h3,5-6H,4,7-8H2,1-2H3,(H,13,14)
What’s the InChIKey format of (2E)-N-(2,6-dimethylphenyl)pyrrolidin-2-imine?
SMJJQXVEBDICDZ-UHFFFAOYSA-N

31 The contents of this page can freely be shared if cited as follows:
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).