8-(2-methoxyethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-amine

C11H23N2O+ — CID 54519220

IUPAC8-(2-methoxyethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-amine
SMILESCOCC[N+]1(C)C2CCC1CC(N)C2
InChIInChI=1S/C11H23N2O/c1-13(5-6-14-2)10-3-4-11(13)8-9(12)7-10/h9-11H,3-8,12H2,1-2H3/q+1
InChIKeyLFWLKVFRAFAAKN-UHFFFAOYSA-N
MW199.32 g/mol
LogP0.73
Rot. Bonds3

About 8-(2-methoxyethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-amine

8-(2-methoxyethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-amine (PubChem CID 54519220) has the molecular formula C11H23N2O+ and a molecular weight of 199.32 g/mol. Its IUPAC name is 8-(2-methoxyethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(2-methoxyethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-amine
PubChem CID54519220
Molecular FormulaC11H23N2O+
Molecular Weight199.32 g/mol
Exact Mass199.18
IUPAC Name8-(2-methoxyethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-amine
SMILESCOCC[N+]1(C)C2CCC1CC(N)C2
InChIInChI=1S/C11H23N2O/c1-13(5-6-14-2)10-3-4-11(13)8-9(12)7-10/h9-11H,3-8,12H2,1-2H3/q+1
InChIKeyLFWLKVFRAFAAKN-UHFFFAOYSA-N
XLogP0.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(2-methoxyethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-amine (CID 54519220) is 8-(2-methoxyethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(2-methoxyethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(2-methoxyethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-amine is COCC[N+]1(C)C2CCC1CC(N)C2.
What is the InChIKey of 8-(2-methoxyethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-amine?
The InChIKey is LFWLKVFRAFAAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N2O/c1-13(5-6-14-2)10-3-4-11(13)8-9(12)7-10/h9-11H,3-8,12H2,1-2H3/q+1.
What are the key properties of 8-(2-methoxyethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-amine?
8-(2-methoxyethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-amine has a molecular weight of 199.32 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 54519220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).