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2D Structure
Also known as: 120570-05-0, (3s)-1-azabicyclo[2.2.2]octan-3-amine, (s)-1-aza-bicyclo[2.2.2]oct-3-ylamine, 1-azabicyclo[2.2.2]octan-3-amine, (s)-, (s)-3-aminoquinuclidine, (s)-3-amino-1-azabicyclo[2.2.2]octane
Molecular Formula
C7H14N2
Molecular Weight
126.20  g/mol
InChI Key
REUAXQZIRFXQML-SSDOTTSWSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3S)-1-azabicyclo[2.2.2]octan-3-amine
2.1.2 InChI
InChI=1S/C7H14N2/c8-7-5-9-3-1-6(7)2-4-9/h6-7H,1-5,8H2/t7-/m1/s1
2.1.3 InChI Key
REUAXQZIRFXQML-SSDOTTSWSA-N
2.1.4 Canonical SMILES
C1CN2CCC1C(C2)N
2.1.5 Isomeric SMILES
C1CN2CCC1[C@@H](C2)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 120570-05-0

2. (3s)-1-azabicyclo[2.2.2]octan-3-amine

3. (s)-1-aza-bicyclo[2.2.2]oct-3-ylamine

4. 1-azabicyclo[2.2.2]octan-3-amine, (s)-

5. (s)-3-aminoquinuclidine

6. (s)-3-amino-1-azabicyclo[2.2.2]octane

7. (s)-3-aminoquinuclidine Hydrochloride

8. 1,2-diphenyl Hydrazine

9. (3s)-quinuclidine-3-amine

10. Schembl47241

11. (s)-(-)-3-aminoquinuclidine

12. Schembl17203543

13. Albb-035144

14. Bcp08732

15. Cs-b0281

16. Mfcd08669631

17. Zinc19202661

18. Akos006237379

19. Akos017344552

20. As-39361

21. (s)-1-azabicyclo[2.2.2]oct-3-ylamine

22. (s)-(-)-1-azabicyclo[2.2.2]octan-3-amine

23. (s)-(1-aza-bicyclo[2.2.2]oct-3-yl)amine

2.3 Create Date
2005-07-08
3 Chemical and Physical Properties
Molecular Weight 126.20 g/mol
Molecular Formula C7H14N2
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass126.115698455 g/mol
Monoisotopic Mass126.115698455 g/mol
Topological Polar Surface Area29.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity106
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1