SDF/Mol File of Tert-butyl[(3-{[3-(methoxymethyl)piperidin-1-yl]methyl}oxolan-3-yl)methyl]amine (C17H34N2O2)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying Tert-butyl[(3-{[3-(methoxymethyl)piperidin-1-yl]methyl}oxolan-3-yl)methyl]amine Molecule

• Chemical structure of tert-butyl[(3-{[3-(methoxymethyl)piperidin-1-yl]methyl}oxolan-3-yl)methyl]amine

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of tert-butyl[(3-{[3-(methoxymethyl)piperidin-1-yl]methyl}oxolan-3-yl)methyl]amine is available in chemical structure page of tert-butyl[(3-{[3-(methoxymethyl)piperidin-1-yl]methyl}oxolan-3-yl)methyl]amine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of tert-butyl[(3-{[3-(methoxymethyl)piperidin-1-yl]methyl}oxolan-3-yl)methyl]amine

  The molecular weight of tert-butyl[(3-{[3-(methoxymethyl)piperidin-1-yl]methyl}oxolan-3-yl)methyl]amine is available in molecular weight page of tert-butyl[(3-{[3-(methoxymethyl)piperidin-1-yl]methyl}oxolan-3-yl)methyl]amine, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of tert-butyl[(3-{[3-(methoxymethyl)piperidin-1-yl]methyl}oxolan-3-yl)methyl]amine

  The chemical formula of tert-butyl[(3-{[3-(methoxymethyl)piperidin-1-yl]methyl}oxolan-3-yl)methyl]amine is given in chemical formula page of tert-butyl[(3-{[3-(methoxymethyl)piperidin-1-yl]methyl}oxolan-3-yl)methyl]amine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of tert-butyl[(3-{[3-(methoxymethyl)piperidin-1-yl]methyl}oxolan-3-yl)methyl]amine

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of tert-butyl[(3-{[3-(methoxymethyl)piperidin-1-yl]methyl}oxolan-3-yl)methyl]amine is:

  InChI=1S/C17H34N2O2/c1-16(2,3)18-12-17(7-9-21-14-17)13-19-8-5-6-15(10-19)11-20-4/h15,18H,5-14H2,1-4H3

  It can provide a standard way to encode the molecular information of tert-butyl[(3-{[3-(methoxymethyl)piperidin-1-yl]methyl}oxolan-3-yl)methyl]amine to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of tert-butyl[(3-{[3-(methoxymethyl)piperidin-1-yl]methyl}oxolan-3-yl)methyl]amine is:

  InChIKey=XKHLDESVDUOPQC-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for tert-butyl[(3-{[3-(methoxymethyl)piperidin-1-yl]methyl}oxolan-3-yl)methyl]amine, but it needs to be linked to the full InChI to get back to the original structure of the tert-butyl[(3-{[3-(methoxymethyl)piperidin-1-yl]methyl}oxolan-3-yl)methyl]amine since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of tert-butyl[(3-{[3-(methoxymethyl)piperidin-1-yl]methyl}oxolan-3-yl)methyl]amine

  The tert-butyl[(3-{[3-(methoxymethyl)piperidin-1-yl]methyl}oxolan-3-yl)methyl]amine compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of tert-butyl[(3-{[3-(methoxymethyl)piperidin-1-yl]methyl}oxolan-3-yl)methyl]amine including the registry numbers are listed below, if available:

  
  
  None available.

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Tert-butyl[(3-{[3-(methoxymethyl)piperidin-1-yl]methyl}oxolan-3-yl)methyl]amine Identification Summary Frequently Asked Questions (FAQs)

What’s the tert-butyl[(3-{[3-(methoxymethyl)piperidin-1-yl]methyl}oxolan-3-yl)methyl]amine formula?
C17H34N2O2
How many atoms and what elements are included in the tert-butyl[(3-{[3-(methoxymethyl)piperidin-1-yl]methyl}oxolan-3-yl)methyl]amine molecule?
55 atom(s) - 34 Hydrogen atom(s), 17 Carbon atom(s), 2 Nitrogen atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the tert-butyl[(3-{[3-(methoxymethyl)piperidin-1-yl]methyl}oxolan-3-yl)methyl]amine structure?
56 bond(s) - 22 non-H bond(s), 7 rotatable bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 secondary amine(s) (aliphatic), 1 tertiary amine(s) (aliphatic), 2 ether(s) (aliphatic), and 1 Oxolane(s)
What’s the tert-butyl[(3-{[3-(methoxymethyl)piperidin-1-yl]methyl}oxolan-3-yl)methyl]amine’s molar mass?
298.46406 g/mol
What’s the SMILES structure of tert-butyl[(3-{[3-(methoxymethyl)piperidin-1-yl]methyl}oxolan-3-yl)methyl]amine?
COCC1CCCN(C1)CC2(CCOC2)CNC(C)(C)C
What’s the InChI code of tert-butyl[(3-{[3-(methoxymethyl)piperidin-1-yl]methyl}oxolan-3-yl)methyl]amine?
InChI=1S/C17H34N2O2/c1-16(2,3)18-12-17(7-9-21-14-17)13-19-8-5-6-15(10-19)11-20-4/h15,18H,5-14H2,1-4H3
What’s the InChIKey format of tert-butyl[(3-{[3-(methoxymethyl)piperidin-1-yl]methyl}oxolan-3-yl)methyl]amine?
XKHLDESVDUOPQC-UHFFFAOYSA-N

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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).