3-(2-ethoxyethylidene)-8-methyl-8-azabicyclo[3.2.1]octane

C12H21NO — CID 123344165

IUPAC3-(2-ethoxyethylidene)-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCCOCC=C1CC2CCC(C1)N2C
InChIInChI=1S/C12H21NO/c1-3-14-7-6-10-8-11-4-5-12(9-10)13(11)2/h6,11-12H,3-5,7-9H2,1-2H3
InChIKeyLUOOVHOXHUCRLE-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.21
Rot. Bonds3

About 3-(2-ethoxyethylidene)-8-methyl-8-azabicyclo[3.2.1]octane

3-(2-ethoxyethylidene)-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 123344165) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(2-ethoxyethylidene)-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2-ethoxyethylidene)-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID123344165
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-(2-ethoxyethylidene)-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCCOCC=C1CC2CCC(C1)N2C
InChIInChI=1S/C12H21NO/c1-3-14-7-6-10-8-11-4-5-12(9-10)13(11)2/h6,11-12H,3-5,7-9H2,1-2H3
InChIKeyLUOOVHOXHUCRLE-UHFFFAOYSA-N
XLogP2.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acetic acid, (8-methyl-8-azabicyclo[3.2.1]oct-3-ylidene)-, ethyl ester
CID 401881
ethyl 2-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetate
CID 10242194
Methyl (8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)acetate
CID 13670649
(1S,5R)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane
CID 118871700
(5S)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane
CID 118881760
3-(2-Methoxyethylidene)-8-azabicyclo[3.2.1]octane
CID 126845440
2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]ethanol
CID 11084268
2-[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene]ethanol
CID 24801545
(1Z)-1-(2-methoxyethylidene)-2-methyleneoctahydroindolizine
CID 24973598
methyl 2-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetate
CID 44233931
2-(8-Methyl-8-azabicyclo[3.2.1]octan-3-ylidene)ethanol
CID 85393217
3-(2-Methoxyethylidene)-8-azabicyclo[3.2.1]octane hydrochloride
CID 126845439

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethylidene)-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(2-ethoxyethylidene)-8-methyl-8-azabicyclo[3.2.1]octane (CID 123344165) is 3-(2-ethoxyethylidene)-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2-ethoxyethylidene)-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2-ethoxyethylidene)-8-methyl-8-azabicyclo[3.2.1]octane is CCOCC=C1CC2CCC(C1)N2C.
What is the InChIKey of 3-(2-ethoxyethylidene)-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is LUOOVHOXHUCRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-14-7-6-10-8-11-4-5-12(9-10)13(11)2/h6,11-12H,3-5,7-9H2,1-2H3.
What are the key properties of 3-(2-ethoxyethylidene)-8-methyl-8-azabicyclo[3.2.1]octane?
3-(2-ethoxyethylidene)-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 195.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethylidene)-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 123344165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).