[1,4-diazabicyclo[2.2.2]octan-2-yl-(2,4-dimethoxyphenyl)methyl]hydrazine

C15H24N4O2 — CID 105250112

IUPAC[1,4-diazabicyclo[2.2.2]octan-2-yl-(2,4-dimethoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)C2CN3CCN2CC3)c(OC)c1
InChIInChI=1S/C15H24N4O2/c1-20-11-3-4-12(14(9-11)21-2)15(17-16)13-10-18-5-7-19(13)8-6-18/h3-4,9,13,15,17H,5-8,10,16H2,1-2H3
InChIKeyDEUNHHHTURYFTD-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.21
Rot. Bonds5

About [1,4-diazabicyclo[2.2.2]octan-2-yl-(2,4-dimethoxyphenyl)methyl]hydrazine

[1,4-diazabicyclo[2.2.2]octan-2-yl-(2,4-dimethoxyphenyl)methyl]hydrazine (PubChem CID 105250112) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is [1,4-diazabicyclo[2.2.2]octan-2-yl-(2,4-dimethoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[1,4-diazabicyclo[2.2.2]octan-2-yl-(2,4-dimethoxyphenyl)methyl]hydrazine
PubChem CID105250112
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name[1,4-diazabicyclo[2.2.2]octan-2-yl-(2,4-dimethoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)C2CN3CCN2CC3)c(OC)c1
InChIInChI=1S/C15H24N4O2/c1-20-11-3-4-12(14(9-11)21-2)15(17-16)13-10-18-5-7-19(13)8-6-18/h3-4,9,13,15,17H,5-8,10,16H2,1-2H3
InChIKeyDEUNHHHTURYFTD-UHFFFAOYSA-N
XLogP0.21
TPSA62.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1,4-diazabicyclo[2.2.2]octan-2-yl-(2,5-dimethoxyphenyl)methanol
CID 79970068
[(2,4-dimethoxyphenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105210736
1,4-diazabicyclo[2.2.2]octan-2-yl-(2-fluoro-4-methoxyphenyl)methanamine
CID 103395731
[(2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105231871
[(2,4-dimethoxyphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229519
[(2,4-dimethoxyphenyl)-(4-ethylcyclohexyl)methyl]hydrazine
CID 105231570
[(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105249906
N-[1,4-diazabicyclo[2.2.2]octan-2-yl-(4-methoxyphenyl)methyl]propan-1-amine
CID 79960983
[(2-cyclobutylphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105249907
[1-(2,4-dimethoxyphenyl)-2,3-dimethylbutyl]hydrazine
CID 105304556
1-(2,4-dimethoxyphenyl)prop-2-ynylhydrazine
CID 105315555
[1-(2,4-dimethoxyphenyl)-2,2-dimethylpropyl]hydrazine
CID 105203197

Frequently Asked Questions

What is the IUPAC name of [1,4-diazabicyclo[2.2.2]octan-2-yl-(2,4-dimethoxyphenyl)methyl]hydrazine?
The IUPAC name of [1,4-diazabicyclo[2.2.2]octan-2-yl-(2,4-dimethoxyphenyl)methyl]hydrazine (CID 105250112) is [1,4-diazabicyclo[2.2.2]octan-2-yl-(2,4-dimethoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [1,4-diazabicyclo[2.2.2]octan-2-yl-(2,4-dimethoxyphenyl)methyl]hydrazine?
The canonical SMILES for [1,4-diazabicyclo[2.2.2]octan-2-yl-(2,4-dimethoxyphenyl)methyl]hydrazine is COc1ccc(C(NN)C2CN3CCN2CC3)c(OC)c1.
What is the InChIKey of [1,4-diazabicyclo[2.2.2]octan-2-yl-(2,4-dimethoxyphenyl)methyl]hydrazine?
The InChIKey is DEUNHHHTURYFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-20-11-3-4-12(14(9-11)21-2)15(17-16)13-10-18-5-7-19(13)8-6-18/h3-4,9,13,15,17H,5-8,10,16H2,1-2H3.
What are the key properties of [1,4-diazabicyclo[2.2.2]octan-2-yl-(2,4-dimethoxyphenyl)methyl]hydrazine?
[1,4-diazabicyclo[2.2.2]octan-2-yl-(2,4-dimethoxyphenyl)methyl]hydrazine has a molecular weight of 292.38 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4-diazabicyclo[2.2.2]octan-2-yl-(2,4-dimethoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 105250112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).