Home Chemical Structure 4-Pentylpyridine

Chemical Structure of 4-Pentylpyridine (C10H15N)

Identification of 4-Pentylpyridine Chemical Compound

2D chemical structure image of 4-Pentylpyridine
Chemical Formula C10H15N
Molecular Weight 149.2328 g/mol
IUPAC Name 4-pentylpyridine
SMILES String CCCCCc1ccncc1
InChI InChI=1S/C10H15N/c1-2-3-4-5-10-6-8-11-9-7-10/h6-9H,2-5H2,1H3
InChIKey ABJVUPUJUGBUMM-UHFFFAOYSA-N

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 4-Pentylpyridine molecule contains a total of 26 bond(s). There are 11 non-H bond(s), 6 multiple bond(s), 4 rotatable bond(s), 6 aromatic bond(s), 1 six-membered ring(s) and 1 Pyridine(s).
Images of the chemical structure of 4-Pentylpyridine are given below:

2D chemical structure image of 4-Pentylpyridine
2-dimensional (2D) chemical structure image of 4-Pentylpyridine
3D chemical structure image of 4-Pentylpyridine
3-dimensional (3D) chemical structure image of 4-Pentylpyridine

The 2D chemical structure image of 4-Pentylpyridine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 4-Pentylpyridine 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 4-Pentylpyridine 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 4-Pentylpyridine.


An Interactive 3-dimensional (3D) Visualization of 4-Pentylpyridine

For a better understanding of the chemical structure, an interactive 3D visualization of 4-Pentylpyridine is provided here.

The 4-Pentylpyridine molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the 4-Pentylpyridine molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of 4-Pentylpyridine can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to a image file.


Additional Information for Identifying 4-Pentylpyridine Molecule

  • SMILES (Simplified Molecular-Input Line-Entry System) string of 4-Pentylpyridine

    The SMILES string of 4-Pentylpyridine is CCCCCc1ccncc1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 4-Pentylpyridine.

  • Structure Data File (SDF/MOL File) of 4-Pentylpyridine

    The structure data file (SDF/MOL File) of 4-Pentylpyridine is available for download in the SDF page of 4-Pentylpyridine, which provides the information about the atoms, bonds, connectivity and coordinates of 4-Pentylpyridine. The 4-Pentylpyridine structure data file can be imported to most of the cheminformatics software systems and applications.

  • Chemical formula of 4-Pentylpyridine

    The molecular formula of 4-Pentylpyridine is available in chemical formula page of 4-Pentylpyridine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • Molecular weight of 4-Pentylpyridine

    The molecular weight of 4-Pentylpyridine is available in molecular weight page of 4-Pentylpyridine, 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 4-Pentylpyridine

    The 4-Pentylpyridine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 4-Pentylpyridine including the various registry numbers, if available:

    • 4-Pentylpyridine
    • 4-Amylpyridine
    • 2961-50-4
    • Pyridine, 4-pentyl-
    • P-AMYLPYRIDINE
    • 1-(4-Pyridyl)pentane
    • 4-n-Pentylpyridine
    • 4-N-AMYLPYRIDINE
    • 4-pentyl-pyridine
    • ANW-26661
    • MFCD02093422
    • AR-1G0983

4-Pentylpyridine Identification Summary Frequently Asked Questions (FAQs)

  • What’s the chemical formula of 4-Pentylpyridine?

    C10H15N
  • How many atoms and what are the elements included the 4-Pentylpyridine molecule?

    26 atom(s) – 15 Hydrogen atom(s), 10 Carbon atom(s) and 1 Nitrogen atom(s)
  • How many chemical bonds and what kind of bonds are included the 4-Pentylpyridine structure?

    26 bond(s) – 11 non-H bond(s), 6 multiple bond(s), 4 rotatable bond(s), 6 aromatic bond(s), 1 six-membered ring(s) and 1 Pyridine(s)
  • What’s the 4-Pentylpyridine’s molecular weight?

    149.2328 g/mol
  • What’s the SMILES code of 4-Pentylpyridine?

    CCCCCc1ccncc1
  • What’s the InChI string of 4-Pentylpyridine?

    InChI=1S/C10H15N/c1-2-3-4-5-10-6-8-11-9-7-10/h6-9H,2-5H2,1H3
  • What’s the InChIKey code of 4-Pentylpyridine?

    ABJVUPUJUGBUMM-UHFFFAOYSA-N

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
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