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2D Structure
Also known as: 54528-00-6, 3-amino-3-azabicyclo[3.3.0]octane, 3,3a,4,5,6,6a-hexahydro-1h-cyclopenta[c]pyrrol-2-amine, 3-amino-3-azabicyclo[3,3,0]octane, Hexahydrocyclopenta(c)pyrrol-2(1h)-amine, 3-amino-3-azabicyclo[3,3,0]octane hydrochloride
Molecular Formula
C7H14N2
Molecular Weight
126.20  g/mol
InChI Key
FJYWNYLUZBMVKI-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-amine
2.1.2 InChI
InChI=1S/C7H14N2/c8-9-4-6-2-1-3-7(6)5-9/h6-7H,1-5,8H2
2.1.3 InChI Key
FJYWNYLUZBMVKI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC2CN(CC2C1)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 54528-00-6

2. 3-amino-3-azabicyclo[3.3.0]octane

3. 3,3a,4,5,6,6a-hexahydro-1h-cyclopenta[c]pyrrol-2-amine

4. 3-amino-3-azabicyclo[3,3,0]octane

5. Hexahydrocyclopenta(c)pyrrol-2(1h)-amine

6. 3-amino-3-azabicyclo[3,3,0]octane Hydrochloride

7. N-amino-aza-3-bicyclo[3,3,0]octane Hydrochloride

8. Einecs 259-201-9

9. 3-azabicyclo[3.3.0]octan-3-amine

10. Schembl177030

11. Dtxsid40969748

12. Albb-035708

13. N-amino-3-azabicyclo[3,3,0]octane

14. Akos006230096

15. Hexahydro-cyclopenta[c]pyrrol-2-ylamine

16. Da-05023

17. Cs-0453488

18. Ft-0657592

19. 108a057

20. A830226

21. W-111090

22. Cyclopenta[c]pyrrol-2(1h)-amine, Hexahydro-, Dihydrochloride

2.3 Create Date
2005-09-13
3 Chemical and Physical Properties
Molecular Weight 126.20 g/mol
Molecular Formula C7H14N2
XLogP30.8
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
Complexity102
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1