3-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

C12H21NO — CID 171952343

IUPAC3-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1C2CCC1CC(O)(C1CCC1)C2
InChIInChI=1S/C12H21NO/c1-13-10-5-6-11(13)8-12(14,7-10)9-3-2-4-9/h9-11,14H,2-8H2,1H3
InChIKeyROARFZXREGDRCW-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.77
Rot. Bonds1

About 3-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

3-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171952343) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171952343
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1C2CCC1CC(O)(C1CCC1)C2
InChIInChI=1S/C12H21NO/c1-13-10-5-6-11(13)8-12(14,7-10)9-3-2-4-9/h9-11,14H,2-8H2,1H3
InChIKeyROARFZXREGDRCW-UHFFFAOYSA-N
XLogP1.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-sulfonic acid
CID 103574162
9-methyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171953204
9-methyl-3-propyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171953156
9-methyl-3-pentan-3-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952737
(1R,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 7223736
3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 535477
methane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane
CID 157389417
3-(methoxymethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171953073
9-methyl-3-(1-trimethylsilylethenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952279
3-cyclobutyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952352
1-cyclopentyl-3,5-dimethylcyclohexan-1-ol
CID 64737719
CID 157364506
CID 157364506

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (CID 171952343) is 3-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is CN1C2CCC1CC(O)(C1CCC1)C2.
What is the InChIKey of 3-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is ROARFZXREGDRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-13-10-5-6-11(13)8-12(14,7-10)9-3-2-4-9/h9-11,14H,2-8H2,1H3.
What are the key properties of 3-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
3-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 195.31 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171952343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).