5,6-diethyl-2,3-dimethyl-1-azabicyclo[5.2.2]undecane

C16H31N — CID 155306953

IUPAC5,6-diethyl-2,3-dimethyl-1-azabicyclo[5.2.2]undecane
SMILESCCC1CC(C)C(C)N2CCC(CC2)C1CC
InChIInChI=1S/C16H31N/c1-5-14-11-12(3)13(4)17-9-7-15(8-10-17)16(14)6-2/h12-16H,5-11H2,1-4H3
InChIKeyDVERJEQOTHOCGT-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.18
Rot. Bonds2

About 5,6-diethyl-2,3-dimethyl-1-azabicyclo[5.2.2]undecane

5,6-diethyl-2,3-dimethyl-1-azabicyclo[5.2.2]undecane (PubChem CID 155306953) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 5,6-diethyl-2,3-dimethyl-1-azabicyclo[5.2.2]undecane.

Molecular Properties

Compound Name5,6-diethyl-2,3-dimethyl-1-azabicyclo[5.2.2]undecane
PubChem CID155306953
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name5,6-diethyl-2,3-dimethyl-1-azabicyclo[5.2.2]undecane
SMILESCCC1CC(C)C(C)N2CCC(CC2)C1CC
InChIInChI=1S/C16H31N/c1-5-14-11-12(3)13(4)17-9-7-15(8-10-17)16(14)6-2/h12-16H,5-11H2,1-4H3
InChIKeyDVERJEQOTHOCGT-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5,6-diethyl-2,3-dimethyl-1-azabicyclo[5.2.2]undecane with MolForge

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

Launch Full Analysis

Related Compounds

6,8-Diethyl-5-propylindolizidine
CID 72760744
(4S,4aR,7S,7aS)-Octahydro-2,4,7-trimethyl-1H-cyclopenta(c)pyridine
CID 442552
(5S,6R,8S,8aR)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 15545699
(5S,6R,8R,8aS)-5-butyl-6,8-diethyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 162913556
(5S,6R,8R,8aS)-6,8-diethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 162964490
(5R,8R,8aS)-5-ethyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 163106292
(8R,8aS)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 101002226
1-(1,5,9-Trimethyl-decyl)-piperidine
CID 44271489
(4S,4aS,7R,7aS)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine
CID 11041095
(5R,7S,8aR)-5,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 11228914
(5R,8R)-8-Methyl-5-pentyloctahydroindolizine
CID 14265442
8-Methyl-5-ethylindolizidine
CID 75989788

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-2,3-dimethyl-1-azabicyclo[5.2.2]undecane?
The IUPAC name of 5,6-diethyl-2,3-dimethyl-1-azabicyclo[5.2.2]undecane (CID 155306953) is 5,6-diethyl-2,3-dimethyl-1-azabicyclo[5.2.2]undecane.
What is the SMILES notation for 5,6-diethyl-2,3-dimethyl-1-azabicyclo[5.2.2]undecane?
The canonical SMILES for 5,6-diethyl-2,3-dimethyl-1-azabicyclo[5.2.2]undecane is CCC1CC(C)C(C)N2CCC(CC2)C1CC.
What is the InChIKey of 5,6-diethyl-2,3-dimethyl-1-azabicyclo[5.2.2]undecane?
The InChIKey is DVERJEQOTHOCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-5-14-11-12(3)13(4)17-9-7-15(8-10-17)16(14)6-2/h12-16H,5-11H2,1-4H3.
What are the key properties of 5,6-diethyl-2,3-dimethyl-1-azabicyclo[5.2.2]undecane?
5,6-diethyl-2,3-dimethyl-1-azabicyclo[5.2.2]undecane has a molecular weight of 237.43 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-2,3-dimethyl-1-azabicyclo[5.2.2]undecane is sourced from PubChem (CID 155306953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).