6-propan-2-yl-6-azabicyclo[3.2.1]octan-2-ol

C10H19NO — CID 117050678

IUPAC6-propan-2-yl-6-azabicyclo[3.2.1]octan-2-ol
SMILESCC(C)N1CC2CC1CCC2O
InChIInChI=1S/C10H19NO/c1-7(2)11-6-8-5-9(11)3-4-10(8)12/h7-10,12H,3-6H2,1-2H3
InChIKeyVGBLPOCEMJVLQH-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.24
Rot. Bonds1

About 6-propan-2-yl-6-azabicyclo[3.2.1]octan-2-ol

6-propan-2-yl-6-azabicyclo[3.2.1]octan-2-ol (PubChem CID 117050678) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 6-propan-2-yl-6-azabicyclo[3.2.1]octan-2-ol.

Molecular Properties

Compound Name6-propan-2-yl-6-azabicyclo[3.2.1]octan-2-ol
PubChem CID117050678
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name6-propan-2-yl-6-azabicyclo[3.2.1]octan-2-ol
SMILESCC(C)N1CC2CC1CCC2O
InChIInChI=1S/C10H19NO/c1-7(2)11-6-8-5-9(11)3-4-10(8)12/h7-10,12H,3-6H2,1-2H3
InChIKeyVGBLPOCEMJVLQH-UHFFFAOYSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane
CID 130224407
(1R)-2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane
CID 166773781
ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane
CID 177191821
6-propan-2-yl-6-azabicyclo[3.2.1]octane
CID 45095908
6-(2,2,2-trifluoroethyl)-6-azabicyclo[3.2.1]octan-2-ol
CID 117050719
2-propan-2-yl-3-(6-propan-2-yl-6-azabicyclo[3.2.2]nonan-8-yl)-2-azabicyclo[3.2.2]nonane
CID 170004182
2-methyl-6-propan-2-yl-2,6-diazabicyclo[3.2.2]nonane
CID 176748091
(1S,4S,5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-ol
CID 139364909
(1R,2R,3R,5S)-2-amino-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 164821408
4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]decan-8-ol
CID 167425034
(2S,3R)-2-methyl-1-propan-2-ylpyrrolidin-3-ol
CID 131048189
2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 18731886

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-6-azabicyclo[3.2.1]octan-2-ol?
The IUPAC name of 6-propan-2-yl-6-azabicyclo[3.2.1]octan-2-ol (CID 117050678) is 6-propan-2-yl-6-azabicyclo[3.2.1]octan-2-ol.
What is the SMILES notation for 6-propan-2-yl-6-azabicyclo[3.2.1]octan-2-ol?
The canonical SMILES for 6-propan-2-yl-6-azabicyclo[3.2.1]octan-2-ol is CC(C)N1CC2CC1CCC2O.
What is the InChIKey of 6-propan-2-yl-6-azabicyclo[3.2.1]octan-2-ol?
The InChIKey is VGBLPOCEMJVLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)11-6-8-5-9(11)3-4-10(8)12/h7-10,12H,3-6H2,1-2H3.
What are the key properties of 6-propan-2-yl-6-azabicyclo[3.2.1]octan-2-ol?
6-propan-2-yl-6-azabicyclo[3.2.1]octan-2-ol has a molecular weight of 169.27 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-6-azabicyclo[3.2.1]octan-2-ol is sourced from PubChem (CID 117050678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).