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Also known as: 3423-25-4, 259092-15-4, 8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol, 8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol, (3-endo)-3-hydroxy-8-isopropyl-8-azabicyclo[3.2.1]octane, Einecs 222-314-9
Molecular Formula
C10H19NO
Molecular Weight
169.26  g/mol
InChI Key
YYDQYSQZIUSKFN-UHFFFAOYSA-N

CAS 3423-25-4
1 2D Structure

CAS 3423-25-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
2.1.2 InChI
InChI=1S/C10H19NO/c1-7(2)11-8-3-4-9(11)6-10(12)5-8/h7-10,12H,3-6H2,1-2H3
2.1.3 InChI Key
YYDQYSQZIUSKFN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)N1C2CCC1CC(C2)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 3423-25-4

2. 259092-15-4

3. 8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol

4. 8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

5. (3-endo)-3-hydroxy-8-isopropyl-8-azabicyclo[3.2.1]octane

6. Einecs 222-314-9

7. Ec 222-314-9

8. Ao-801/41077387

9. Schembl10362733

10. Dtxsid10955774

11. Bcp34373

12. Mfcd28010178

13. Akos011240753

14. Sy226328

15. Cs-0450214

16. En300-89000

17. 1alphah,5alphah-nortropan-3alpha-ol, 8-isopropyl-

18. Z905065862

19. 8-azabicyclo[3.2.1]octan-3-ol,8-(1-methylethyl)-(9ci)

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 169.26 g/mol
Molecular Formula C10H19NO
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass169.146664230 g/mol
Monoisotopic Mass169.146664230 g/mol
Topological Polar Surface Area23.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity155
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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