Structure & Deep Data of Methyl pentanimidate (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 methyl pentanimidate 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 ether(s) (aliphatic). Images of the chemical structure of methyl pentanimidate are given below:

The 2D chemical structure image of methyl pentanimidate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of methyl pentanimidate 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 methyl pentanimidate 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 methyl pentanimidate. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Methyl pentanimidate Molecule

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

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

• Structure Data File (SDF/MOL File) of methyl pentanimidate

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

• Chemical formula of methyl pentanimidate

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

• Molecular weight of methyl pentanimidate

  The molecular weight of methyl pentanimidate is available in molecular weight page of methyl pentanimidate, 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 methyl pentanimidate

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

  • Pentanimidic acid, methyl ester
  • pentanimidic acid methyl ester
  • 1-methoxy-pentylidene-amine
  • 1-Methoxy-1-pentanimine
  • 57246-71-6
  • methyl pentanimidoate
  • methyl pentanimidate

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Methyl pentanimidate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of methyl pentanimidate?
C6H13NO
How many atoms and what are the elements included the methyl pentanimidate 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 methyl pentanimidate structure?
20 bond(s) - 7 non-H bond(s), 1 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), and 1 ether(s) (aliphatic)
What’s the methyl pentanimidate’s molecular weight?
115.17352 g/mol
What’s the SMILES code of methyl pentanimidate?
CCCCC(=N)OC
What’s the InChI string of methyl pentanimidate?
InChI=1S/C6H13NO/c1-3-4-5-6(7)8-2/h7H,3-5H2,1-2H3/b7-6-
What’s the InChIKey code of methyl pentanimidate?
DIFSGQKADHEBAI-SREVYHEPSA-N

62 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).