[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-ethylphenyl)ethyl]hydrazine

C16H26N4 — CID 105249842

IUPAC[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-ethylphenyl)ethyl]hydrazine
SMILESCCc1ccc(CC(NN)C2CN3CCN2CC3)cc1
InChIInChI=1S/C16H26N4/c1-2-13-3-5-14(6-4-13)11-15(18-17)16-12-19-7-9-20(16)10-8-19/h3-6,15-16,18H,2,7-12,17H2,1H3
InChIKeyPEGXCIIQPVMNRX-UHFFFAOYSA-N
MW274.41 g/mol
LogP0.62
Rot. Bonds5

About [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-ethylphenyl)ethyl]hydrazine

[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-ethylphenyl)ethyl]hydrazine (PubChem CID 105249842) 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-(4-ethylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-ethylphenyl)ethyl]hydrazine
PubChem CID105249842
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-ethylphenyl)ethyl]hydrazine
SMILESCCc1ccc(CC(NN)C2CN3CCN2CC3)cc1
InChIInChI=1S/C16H26N4/c1-2-13-3-5-14(6-4-13)11-15(18-17)16-12-19-7-9-20(16)10-8-19/h3-6,15-16,18H,2,7-12,17H2,1H3
InChIKeyPEGXCIIQPVMNRX-UHFFFAOYSA-N
XLogP0.62
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105249872
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 79974431
2-(4-bromophenyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethylethanamine
CID 79974007
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)pentylhydrazine
CID 105249829
[2-(4-ethylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446480
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 79974905
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 79974507
[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105250055
[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105250047
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-fluorophenyl)ethanamine
CID 79968785
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)hex-5-enylhydrazine
CID 105249868
[1-(2,3-dihydro-1H-inden-2-yl)-2-(4-ethylphenyl)ethyl]hydrazine
CID 105234081

Frequently Asked Questions

What is the IUPAC name of [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-ethylphenyl)ethyl]hydrazine?
The IUPAC name of [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-ethylphenyl)ethyl]hydrazine (CID 105249842) is [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-ethylphenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-ethylphenyl)ethyl]hydrazine?
The canonical SMILES for [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-ethylphenyl)ethyl]hydrazine is CCc1ccc(CC(NN)C2CN3CCN2CC3)cc1.
What is the InChIKey of [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-ethylphenyl)ethyl]hydrazine?
The InChIKey is PEGXCIIQPVMNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-2-13-3-5-14(6-4-13)11-15(18-17)16-12-19-7-9-20(16)10-8-19/h3-6,15-16,18H,2,7-12,17H2,1H3.
What are the key properties of [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-ethylphenyl)ethyl]hydrazine?
[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-ethylphenyl)ethyl]hydrazine has a molecular weight of 274.41 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 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-(4-ethylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105249842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).