1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine

C16H26N4 — CID 79974905

IUPAC1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)C2CN3CCN2CC3)nc1
InChIInChI=1S/C16H26N4/c1-3-13-4-5-14(18-11-13)10-15(17-2)16-12-19-6-8-20(16)9-7-19/h4-5,11,15-17H,3,6-10,12H2,1-2H3
InChIKeyRSESOMWUADWUAX-UHFFFAOYSA-N
MW274.41 g/mol
LogP0.77
Rot. Bonds5

About 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine

1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine (PubChem CID 79974905) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
PubChem CID79974905
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)C2CN3CCN2CC3)nc1
InChIInChI=1S/C16H26N4/c1-3-13-4-5-14(18-11-13)10-15(17-2)16-12-19-6-8-20(16)9-7-19/h4-5,11,15-17H,3,6-10,12H2,1-2H3
InChIKeyRSESOMWUADWUAX-UHFFFAOYSA-N
XLogP0.77
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine 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

1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 79973825
1-(4-ethylmorpholin-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 79748739
[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-ethylphenyl)ethyl]hydrazine
CID 105249842
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 79973917
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 79740147
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105014570
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 79974509
[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-ethyl-2-pyridinyl)ethyl]hydrazine
CID 105324428
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 105168842
1-(5-ethyl-2-pyridinyl)-N-methylbutan-2-amine
CID 79006788
[2-(5-ethyl-2-pyridinyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446379
2-(4-bromophenyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethylethanamine
CID 79974007

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine?
The IUPAC name of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine (CID 79974905) is 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine?
The canonical SMILES for 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine is CCc1ccc(CC(NC)C2CN3CCN2CC3)nc1.
What is the InChIKey of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine?
The InChIKey is RSESOMWUADWUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-3-13-4-5-14(18-11-13)10-15(17-2)16-12-19-6-8-20(16)9-7-19/h4-5,11,15-17H,3,6-10,12H2,1-2H3.
What are the key properties of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine?
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine has a molecular weight of 274.41 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 79974905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).