1,3,8,8-tetramethyl-3-azoniabicyclo[3.2.1]octane chloride

C11H22ClN — CID 13644

IUPAC1,3,8,8-tetramethyl-3-azoniabicyclo[3.2.1]octane chloride
SMILESC[NH+]1CC2CCC(C)(C1)C2(C)C.[Cl-]
InChIInChI=1S/C11H21N.ClH/c1-10(2)9-5-6-11(10,3)8-12(4)7-9;/h9H,5-8H2,1-4H3;1H
InChIKeyNKLXCHWJENSPCX-UHFFFAOYSA-N
MW203.76 g/mol
LogP-2.04
Rot. Bonds

About 1,3,8,8-tetramethyl-3-azoniabicyclo[3.2.1]octane chloride

1,3,8,8-tetramethyl-3-azoniabicyclo[3.2.1]octane chloride (PubChem CID 13644) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is 1,3,8,8-tetramethyl-3-azoniabicyclo[3.2.1]octane chloride.

Molecular Properties

Compound Name1,3,8,8-tetramethyl-3-azoniabicyclo[3.2.1]octane chloride
PubChem CID13644
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC Name1,3,8,8-tetramethyl-3-azoniabicyclo[3.2.1]octane chloride
SMILESC[NH+]1CC2CCC(C)(C1)C2(C)C.[Cl-]
InChIInChI=1S/C11H21N.ClH/c1-10(2)9-5-6-11(10,3)8-12(4)7-9;/h9H,5-8H2,1-4H3;1H
InChIKeyNKLXCHWJENSPCX-UHFFFAOYSA-N
XLogP-2.04
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.76
LogP ≤ 5-2.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 1,3,8,8-tetramethyl-3-azoniabicyclo[3.2.1]octane chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,8,8-tetramethyl-3-azoniabicyclo[3.2.1]octane chloride?
The IUPAC name of 1,3,8,8-tetramethyl-3-azoniabicyclo[3.2.1]octane chloride (CID 13644) is 1,3,8,8-tetramethyl-3-azoniabicyclo[3.2.1]octane chloride.
What is the SMILES notation for 1,3,8,8-tetramethyl-3-azoniabicyclo[3.2.1]octane chloride?
The canonical SMILES for 1,3,8,8-tetramethyl-3-azoniabicyclo[3.2.1]octane chloride is C[NH+]1CC2CCC(C)(C1)C2(C)C.[Cl-].
What is the InChIKey of 1,3,8,8-tetramethyl-3-azoniabicyclo[3.2.1]octane chloride?
The InChIKey is NKLXCHWJENSPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.ClH/c1-10(2)9-5-6-11(10,3)8-12(4)7-9;/h9H,5-8H2,1-4H3;1H.
What are the key properties of 1,3,8,8-tetramethyl-3-azoniabicyclo[3.2.1]octane chloride?
1,3,8,8-tetramethyl-3-azoniabicyclo[3.2.1]octane chloride has a molecular weight of 203.76 g/mol, XLogP of -2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,8,8-tetramethyl-3-azoniabicyclo[3.2.1]octane chloride is sourced from PubChem (CID 13644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).