Structure & Deep Data of N-butylpentan-1-imine (C9H19N)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The N-butylpentan-1-imine molecule contains a total of 28 bond(s). There are 9 non-H bond(s), 1 multiple bond(s), 6 rotatable bond(s), 1 double bond(s), and 1 imine(s) (aliphatic). Images of the chemical structure of N-butylpentan-1-imine are given below:

The 2D chemical structure image of N-butylpentan-1-imine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of N-butylpentan-1-imine 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 N-butylpentan-1-imine 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 N-butylpentan-1-imine. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying N-butylpentan-1-imine Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of N-butylpentan-1-imine

  The SMILES string of N-butylpentan-1-imine is CCCCC=NCCCC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the N-butylpentan-1-imine.

• Structure Data File (SDF/MOL File) of N-butylpentan-1-imine

  The structure data file (SDF/MOL File) of N-butylpentan-1-imine is available for download in the SDF page of N-butylpentan-1-imine, which provides the information about the atoms, bonds, connectivity and coordinates of N-butylpentan-1-imine. The N-butylpentan-1-imine structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of N-butylpentan-1-imine

  The molecular formula of N-butylpentan-1-imine is available in chemical formula page of N-butylpentan-1-imine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of N-butylpentan-1-imine

  The molecular weight of N-butylpentan-1-imine is available in molecular weight page of N-butylpentan-1-imine, 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 N-butylpentan-1-imine

  The N-butylpentan-1-imine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of N-butylpentan-1-imine including the various registry numbers, if available:

  • Butylamine, N-pentylidene-
  • 1-Butanamine, N-pentylidene-
  • butyl-pentylidene-amine

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N-butylpentan-1-imine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of N-butylpentan-1-imine?
C9H19N
How many atoms and what are the elements included the N-butylpentan-1-imine molecule?
29 atom(s) - 19 Hydrogen atom(s), 9 Carbon atom(s), and 1 Nitrogen atom(s)
How many chemical bonds and what kind of bonds are included the N-butylpentan-1-imine structure?
28 bond(s) - 9 non-H bond(s), 1 multiple bond(s), 6 rotatable bond(s), 1 double bond(s), and 1 imine(s) (aliphatic)
What’s the N-butylpentan-1-imine’s molecular weight?
141.25386 g/mol
What’s the SMILES code of N-butylpentan-1-imine?
CCCCC=NCCCC
What’s the InChI string of N-butylpentan-1-imine?
InChI=1S/C9H19N/c1-3-5-7-9-10-8-6-4-2/h9H,3-8H2,1-2H3/b10-9+
What’s the InChIKey code of N-butylpentan-1-imine?
DQUFJSBUTDTRNC-MDZDMXLPSA-N

30 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).