Structure & Deep Data of HEXANAMIDE (C6H13NO)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The HEXANAMIDE molecule contains a total of 20 bond(s). There are 7 non-H bond(s), 1 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), and 1 primary amide(s) (aliphatic). Images of the chemical structure of HEXANAMIDE are given below:

The 2D chemical structure image of HEXANAMIDE is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of HEXANAMIDE are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of HEXANAMIDE is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of HEXANAMIDE. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying HEXANAMIDE Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of HEXANAMIDE

  The SMILES string of HEXANAMIDE is CCCCCC(N)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the HEXANAMIDE.

• Structure Data File (SDF/MOL File) of HEXANAMIDE

  The structure data file (SDF/MOL File) of HEXANAMIDE is available for download in the SDF page of HEXANAMIDE, which provides the information about the atoms, bonds, connectivity and coordinates of HEXANAMIDE. The HEXANAMIDE structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of HEXANAMIDE

  The molecular formula of HEXANAMIDE is available in chemical formula page of HEXANAMIDE, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of HEXANAMIDE

  The molecular weight of HEXANAMIDE is available in molecular weight page of HEXANAMIDE, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of HEXANAMIDE

  The HEXANAMIDE compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of HEXANAMIDE including the various registry numbers, if available:

  • C-31246
  • BBV-36828807
  • I14-91067
  • RTR-021601
  • MFCD00008046
  • ANW-34384
  • 7538AF
  • HMS3039B16
  • R0YX4OJ6TW
  • hexanoic acid, amide

  • Hexanoamide, 98%
  • hexanoic acid amide
  • caproic amide
  • hexaneamide
  • CAS-628-02-4
  • n-Caproic amide
  • n-Capronamide
  • Hexanoamide
  • Hexamide (VAN)
  • n-Hexanamide

  • Caproamide
  • n-Caproamide
  • Hexylamide
  • Hexamide
  • 628-02-4
  • Capronamide

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HEXANAMIDE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of HEXANAMIDE?
C6H13NO
How many atoms and what are the elements included the HEXANAMIDE molecule?
21 atom(s) - 13 Hydrogen atom(s), 6 Carbon atom(s), 1 Nitrogen atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the HEXANAMIDE structure?
20 bond(s) - 7 non-H bond(s), 1 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), and 1 primary amide(s) (aliphatic)
What’s the HEXANAMIDE’s molecular weight?
115.17352 g/mol
What’s the SMILES code of HEXANAMIDE?
CCCCCC(N)=O
What’s the InChI string of HEXANAMIDE?
InChI=1S/C6H13NO/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H2,7,8)
What’s the InChIKey code of HEXANAMIDE?
ALBYIUDWACNRRB-UHFFFAOYSA-N

5707 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).