3-cyclobutyl-9-azabicyclo[3.3.1]nonan-3-ol

C12H21NO — CID 171952352

IUPAC3-cyclobutyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1(C2CCC2)CC2CCCC(C1)N2
InChIInChI=1S/C12H21NO/c14-12(9-3-1-4-9)7-10-5-2-6-11(8-12)13-10/h9-11,13-14H,1-8H2
InChIKeyJFNNPCDFXIBDDA-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.82
Rot. Bonds1

About 3-cyclobutyl-9-azabicyclo[3.3.1]nonan-3-ol

3-cyclobutyl-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171952352) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-cyclobutyl-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-cyclobutyl-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171952352
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-cyclobutyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1(C2CCC2)CC2CCCC(C1)N2
InChIInChI=1S/C12H21NO/c14-12(9-3-1-4-9)7-10-5-2-6-11(8-12)13-10/h9-11,13-14H,1-8H2
InChIKeyJFNNPCDFXIBDDA-UHFFFAOYSA-N
XLogP1.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-cyclobutyl-9-azabicyclo[3.3.1]nonan-3-ol (CID 171952352) is 3-cyclobutyl-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-cyclobutyl-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-cyclobutyl-9-azabicyclo[3.3.1]nonan-3-ol is OC1(C2CCC2)CC2CCCC(C1)N2.
What is the InChIKey of 3-cyclobutyl-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is JFNNPCDFXIBDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c14-12(9-3-1-4-9)7-10-5-2-6-11(8-12)13-10/h9-11,13-14H,1-8H2.
What are the key properties of 3-cyclobutyl-9-azabicyclo[3.3.1]nonan-3-ol?
3-cyclobutyl-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 195.31 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171952352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).