Structure & Deep Data of CINCHONIDINE (C19H22N2O)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The CINCHONIDINE molecule contains a total of 47 bond(s). There are 25 non-H bond(s), 12 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 11 aromatic bond(s), 5 six-membered ring(s), 1 ten-membered ring(s), 1 tertiary amine(s) (aliphatic), 1 hydroxyl group(s), 1 secondary alcohol(s), and 1 Pyridine(s). Images of the chemical structure of CINCHONIDINE are given below:

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

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Additional Information for Identifying CINCHONIDINE Molecule

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

  The SMILES string of CINCHONIDINE is OC(C1CC2CCN1CC2C=C)c3ccnc4ccccc34, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the CINCHONIDINE.

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

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

• Chemical formula of CINCHONIDINE

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

• Molecular weight of CINCHONIDINE

  The molecular weight of CINCHONIDINE is available in molecular weight page of CINCHONIDINE, 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 CINCHONIDINE

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

  • 485-71-2
  • CINCHONIDINE

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CINCHONIDINE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of CINCHONIDINE?
C19H22N2O
How many atoms and what are the elements included the CINCHONIDINE molecule?
44 atom(s) - 22 Hydrogen atom(s), 19 Carbon atom(s), 2 Nitrogen atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the CINCHONIDINE structure?
47 bond(s) - 25 non-H bond(s), 12 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 11 aromatic bond(s), 5 six-membered ring(s), 1 ten-membered ring(s), 1 tertiary amine(s) (aliphatic), 1 hydroxyl group(s), 1 secondary alcohol(s), and 1 Pyridine(s)
What’s the CINCHONIDINE’s molecular weight?
294.39078 g/mol
What’s the SMILES code of CINCHONIDINE?
OC(C1CC2CCN1CC2C=C)c3ccnc4ccccc34
What’s the InChI string of CINCHONIDINE?
InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18?,19+/m0/s1
What’s the InChIKey code of CINCHONIDINE?
KMPWYEUPVWOPIM-CZHSWUJBSA-N

171 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).