(1S,5S)-8-[(2R)-2-hydroxy-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol

C13H25NO2 — CID 124873025

IUPAC(1S,5S)-8-[(2R)-2-hydroxy-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)(C)[C@@H](O)CN1[C@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C13H25NO2/c1-13(2,3)12(16)8-14-9-4-5-10(14)7-11(15)6-9/h9-12,15-16H,4-8H2,1-3H3/t9-,10-,12-/m0/s1
InChIKeyGEDJLMJVBHSWMY-NHCYSSNCSA-N
MW227.35 g/mol
LogP1.38
Rot. Bonds2

About (1S,5S)-8-[(2R)-2-hydroxy-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol

(1S,5S)-8-[(2R)-2-hydroxy-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 124873025) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (1S,5S)-8-[(2R)-2-hydroxy-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1S,5S)-8-[(2R)-2-hydroxy-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID124873025
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(1S,5S)-8-[(2R)-2-hydroxy-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)(C)[C@@H](O)CN1[C@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C13H25NO2/c1-13(2,3)12(16)8-14-9-4-5-10(14)7-11(15)6-9/h9-12,15-16H,4-8H2,1-3H3/t9-,10-,12-/m0/s1
InChIKeyGEDJLMJVBHSWMY-NHCYSSNCSA-N
XLogP1.38
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,5S)-8-[(2R)-2-hydroxy-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

(1S,5S)-8-[(2S)-2-hydroxy-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 124873024
1-(7-azabicyclo[2.2.1]heptan-7-yl)-3,3-dimethylbutan-2-ol
CID 131162882
8-[2-(bromomethyl)-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 65015221
8-[(2S)-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 106932829
1-(2-hydroxy-3,3-dimethylbutyl)piperidin-4-ol
CID 130501782
8-[4,4-dimethyl-3-(methylamino)pentyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63769276
(1R,5R)-8-propyl-8-azabicyclo[3.2.1]octan-3-ol
CID 6946851
8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63769257
2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]-2-methylbutanal
CID 63768755
8-[2-(3-aminophenyl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63764292
8-[2-(ethylaminomethyl)-2-methylpentyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 55236834
8-[(2-hydroxy-5-propan-2-ylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63769113

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-8-[(2R)-2-hydroxy-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1S,5S)-8-[(2R)-2-hydroxy-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 124873025) is (1S,5S)-8-[(2R)-2-hydroxy-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1S,5S)-8-[(2R)-2-hydroxy-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1S,5S)-8-[(2R)-2-hydroxy-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol is CC(C)(C)[C@@H](O)CN1[C@H]2CC[C@H]1CC(O)C2.
What is the InChIKey of (1S,5S)-8-[(2R)-2-hydroxy-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is GEDJLMJVBHSWMY-NHCYSSNCSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(2,3)12(16)8-14-9-4-5-10(14)7-11(15)6-9/h9-12,15-16H,4-8H2,1-3H3/t9-,10-,12-/m0/s1.
What are the key properties of (1S,5S)-8-[(2R)-2-hydroxy-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol?
(1S,5S)-8-[(2R)-2-hydroxy-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 227.35 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-8-[(2R)-2-hydroxy-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 124873025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).