9-hydroxy-1,3,5-trimethyl-9-azabicyclo[3.3.1]nonane

C11H21NO — CID 129156111

IUPAC9-hydroxy-1,3,5-trimethyl-9-azabicyclo[3.3.1]nonane
SMILESCC1CC2(C)CCCC(C)(C1)N2O
InChIInChI=1S/C11H21NO/c1-9-7-10(2)5-4-6-11(3,8-9)12(10)13/h9,13H,4-8H2,1-3H3
InChIKeyLLESIMFAXVNSNL-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.81
Rot. Bonds

About 9-hydroxy-1,3,5-trimethyl-9-azabicyclo[3.3.1]nonane

9-hydroxy-1,3,5-trimethyl-9-azabicyclo[3.3.1]nonane (PubChem CID 129156111) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 9-hydroxy-1,3,5-trimethyl-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-hydroxy-1,3,5-trimethyl-9-azabicyclo[3.3.1]nonane
PubChem CID129156111
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name9-hydroxy-1,3,5-trimethyl-9-azabicyclo[3.3.1]nonane
SMILESCC1CC2(C)CCCC(C)(C1)N2O
InChIInChI=1S/C11H21NO/c1-9-7-10(2)5-4-6-11(3,8-9)12(10)13/h9,13H,4-8H2,1-3H3
InChIKeyLLESIMFAXVNSNL-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-1,3,5-trimethyl-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 9-hydroxy-1,3,5-trimethyl-9-azabicyclo[3.3.1]nonane (CID 129156111) is 9-hydroxy-1,3,5-trimethyl-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-hydroxy-1,3,5-trimethyl-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 9-hydroxy-1,3,5-trimethyl-9-azabicyclo[3.3.1]nonane is CC1CC2(C)CCCC(C)(C1)N2O.
What is the InChIKey of 9-hydroxy-1,3,5-trimethyl-9-azabicyclo[3.3.1]nonane?
The InChIKey is LLESIMFAXVNSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-7-10(2)5-4-6-11(3,8-9)12(10)13/h9,13H,4-8H2,1-3H3.
What are the key properties of 9-hydroxy-1,3,5-trimethyl-9-azabicyclo[3.3.1]nonane?
9-hydroxy-1,3,5-trimethyl-9-azabicyclo[3.3.1]nonane has a molecular weight of 183.29 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-1,3,5-trimethyl-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 129156111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).