CAS 54528-00-6

1 2D Structure

CAS 54528-00-6

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 Formula	C₇H₁₄N₂
Molecular Weight	126.20 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	126.115698455 g/mol
Monoisotopic Mass	126.115698455 g/mol
Topological Polar Surface Area	29.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	102
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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