[1,4-diazabicyclo[2.2.2]octan-2-yl-(5-methylthiophen-2-yl)methyl]hydrazine

C12H20N4S — CID 105249920

IUPAC[1,4-diazabicyclo[2.2.2]octan-2-yl-(5-methylthiophen-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CN3CCN2CC3)s1
InChIInChI=1S/C12H20N4S/c1-9-2-3-11(17-9)12(14-13)10-8-15-4-6-16(10)7-5-15/h2-3,10,12,14H,4-8,13H2,1H3
InChIKeyDPAATMCHGWPBRJ-UHFFFAOYSA-N
MW252.39 g/mol
LogP0.56
Rot. Bonds3

About [1,4-diazabicyclo[2.2.2]octan-2-yl-(5-methylthiophen-2-yl)methyl]hydrazine

[1,4-diazabicyclo[2.2.2]octan-2-yl-(5-methylthiophen-2-yl)methyl]hydrazine (PubChem CID 105249920) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is [1,4-diazabicyclo[2.2.2]octan-2-yl-(5-methylthiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[1,4-diazabicyclo[2.2.2]octan-2-yl-(5-methylthiophen-2-yl)methyl]hydrazine
PubChem CID105249920
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name[1,4-diazabicyclo[2.2.2]octan-2-yl-(5-methylthiophen-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CN3CCN2CC3)s1
InChIInChI=1S/C12H20N4S/c1-9-2-3-11(17-9)12(14-13)10-8-15-4-6-16(10)7-5-15/h2-3,10,12,14H,4-8,13H2,1H3
InChIKeyDPAATMCHGWPBRJ-UHFFFAOYSA-N
XLogP0.56
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-methylphenyl)methyl]hydrazine
CID 105249950
[(3,5-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105312147
[(3-bromofuran-2-yl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105250113
[(4-tert-butylcyclohexyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105232678
[1,4-diazabicyclo[2.2.2]octan-2-yl-(2,4-dimethoxyphenyl)methyl]hydrazine
CID 105250112
3-[1,4-diazabicyclo[2.2.2]octan-2-yl(hydrazinyl)methyl]pyridin-2-amine
CID 105249962
[(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105249906
[2,3-dihydro-1H-inden-1-yl-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105234388
[1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105250125
[(2-cyclobutylphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105249907
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 79974832
[2-bicyclo[2.2.1]heptanyl-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105266667

Frequently Asked Questions

What is the IUPAC name of [1,4-diazabicyclo[2.2.2]octan-2-yl-(5-methylthiophen-2-yl)methyl]hydrazine?
The IUPAC name of [1,4-diazabicyclo[2.2.2]octan-2-yl-(5-methylthiophen-2-yl)methyl]hydrazine (CID 105249920) is [1,4-diazabicyclo[2.2.2]octan-2-yl-(5-methylthiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [1,4-diazabicyclo[2.2.2]octan-2-yl-(5-methylthiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [1,4-diazabicyclo[2.2.2]octan-2-yl-(5-methylthiophen-2-yl)methyl]hydrazine is Cc1ccc(C(NN)C2CN3CCN2CC3)s1.
What is the InChIKey of [1,4-diazabicyclo[2.2.2]octan-2-yl-(5-methylthiophen-2-yl)methyl]hydrazine?
The InChIKey is DPAATMCHGWPBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-9-2-3-11(17-9)12(14-13)10-8-15-4-6-16(10)7-5-15/h2-3,10,12,14H,4-8,13H2,1H3.
What are the key properties of [1,4-diazabicyclo[2.2.2]octan-2-yl-(5-methylthiophen-2-yl)methyl]hydrazine?
[1,4-diazabicyclo[2.2.2]octan-2-yl-(5-methylthiophen-2-yl)methyl]hydrazine has a molecular weight of 252.39 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4-diazabicyclo[2.2.2]octan-2-yl-(5-methylthiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 105249920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).