SDF/Mol File of 6-Amino-1-Boc-1-azaspiro[3.3]heptane (C11H20N2O2)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying 6-Amino-1-Boc-1-azaspiro[3.3]heptane Molecule

• Chemical structure of 6-Amino-1-Boc-1-azaspiro[3.3]heptane

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 6-Amino-1-Boc-1-azaspiro[3.3]heptane is available in chemical structure page of 6-Amino-1-Boc-1-azaspiro[3.3]heptane, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of 6-Amino-1-Boc-1-azaspiro[3.3]heptane

  The molecular weight of 6-Amino-1-Boc-1-azaspiro[3.3]heptane is available in molecular weight page of 6-Amino-1-Boc-1-azaspiro[3.3]heptane, 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 6-Amino-1-Boc-1-azaspiro[3.3]heptane

  The chemical formula of 6-Amino-1-Boc-1-azaspiro[3.3]heptane is given in chemical formula page of 6-Amino-1-Boc-1-azaspiro[3.3]heptane, 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 6-Amino-1-Boc-1-azaspiro[3.3]heptane

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of 6-Amino-1-Boc-1-azaspiro[3.3]heptane is:

  InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-5-4-11(13)6-8(12)7-11/h8H,4-7,12H2,1-3H3

  It can provide a standard way to encode the molecular information of 6-Amino-1-Boc-1-azaspiro[3.3]heptane 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 6-Amino-1-Boc-1-azaspiro[3.3]heptane is:

  InChIKey=BGRGEIZJUAJNAB-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for 6-Amino-1-Boc-1-azaspiro[3.3]heptane, but it needs to be linked to the full InChI to get back to the original structure of the 6-Amino-1-Boc-1-azaspiro[3.3]heptane since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of 6-Amino-1-Boc-1-azaspiro[3.3]heptane

  The 6-Amino-1-Boc-1-azaspiro[3.3]heptane compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 6-Amino-1-Boc-1-azaspiro[3.3]heptane including the registry numbers are listed below, if available:

  • 1638769-04-6
  • 1638761-25-7
  • trans-tert-Butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate
  • Cis-tert-butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate
  • Tert-butyl 2-amino-5-azaspiro[3.3]heptane-5-carboxylate
  • tert-butyl 6-amino-1-azaspiro[3.3]heptane-1-
  • Q-4720
  • trans-6-amino-1-boc-1-azaspiro[3.3]heptane
  • cis-6-amino-1-boc-1-azaspiro[3.3]heptane
  • 1374659-19-4

  • 6-Amino-1-Boc-1-azaspiro[3.3]heptane

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6-Amino-1-Boc-1-azaspiro[3.3]heptane Identification Summary Frequently Asked Questions (FAQs)

What’s the 6-Amino-1-Boc-1-azaspiro[3.3]heptane formula?
C11H20N2O2
How many atoms and what elements are included in the 6-Amino-1-Boc-1-azaspiro[3.3]heptane molecule?
35 atom(s) - 20 Hydrogen atom(s), 11 Carbon atom(s), 2 Nitrogen atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the 6-Amino-1-Boc-1-azaspiro[3.3]heptane structure?
36 bond(s) - 16 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 2 four-membered ring(s), 1 (thio-) carbamate(s) (aliphatic), 1 primary amine(s) (aliphatic), and 1 Azetidine(s)
What’s the 6-Amino-1-Boc-1-azaspiro[3.3]heptane’s molar mass?
212.152478 g/mol
What’s the SMILES structure of 6-Amino-1-Boc-1-azaspiro[3.3]heptane?
CC(C)(C)OC(=O)N1CCC12CC(N)C2
What’s the InChI code of 6-Amino-1-Boc-1-azaspiro[3.3]heptane?
InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-5-4-11(13)6-8(12)7-11/h8H,4-7,12H2,1-3H3
What’s the InChIKey format of 6-Amino-1-Boc-1-azaspiro[3.3]heptane?
BGRGEIZJUAJNAB-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).