[1-(5-bromothiophen-3-yl)-3-ethylheptyl]hydrazine

C13H23BrN2S — CID 105288393

IUPAC[1-(5-bromothiophen-3-yl)-3-ethylheptyl]hydrazine
SMILESCCCCC(CC)CC(NN)c1csc(Br)c1
InChIInChI=1S/C13H23BrN2S/c1-3-5-6-10(4-2)7-12(16-15)11-8-13(14)17-9-11/h8-10,12,16H,3-7,15H2,1-2H3
InChIKeyXGFOVAORVWOUGB-UHFFFAOYSA-N
MW319.31 g/mol
LogP4.62
Rot. Bonds8

About [1-(5-bromothiophen-3-yl)-3-ethylheptyl]hydrazine

[1-(5-bromothiophen-3-yl)-3-ethylheptyl]hydrazine (PubChem CID 105288393) has the molecular formula C13H23BrN2S and a molecular weight of 319.31 g/mol. Its IUPAC name is [1-(5-bromothiophen-3-yl)-3-ethylheptyl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromothiophen-3-yl)-3-ethylheptyl]hydrazine
PubChem CID105288393
Molecular FormulaC13H23BrN2S
Molecular Weight319.31 g/mol
Exact Mass318.08
IUPAC Name[1-(5-bromothiophen-3-yl)-3-ethylheptyl]hydrazine
SMILESCCCCC(CC)CC(NN)c1csc(Br)c1
InChIInChI=1S/C13H23BrN2S/c1-3-5-6-10(4-2)7-12(16-15)11-8-13(14)17-9-11/h8-10,12,16H,3-7,15H2,1-2H3
InChIKeyXGFOVAORVWOUGB-UHFFFAOYSA-N
XLogP4.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[3-ethyl-1-(5-iodothiophen-3-yl)heptyl]hydrazine
CID 105288394
[1-(5-bromothiophen-3-yl)-3-methylhexyl]hydrazine
CID 105298248
[1-(3,5-dimethoxyphenyl)-3-ethylheptyl]hydrazine
CID 105288416
[1-(3,4-dimethoxyphenyl)-3-ethylheptyl]hydrazine
CID 105192141
[1-(2-bromophenyl)-3-ethylheptyl]hydrazine
CID 105208587
[3-ethyl-1-(4-methylthiophen-3-yl)heptyl]hydrazine
CID 105251746
[1-(5-bromothiophen-3-yl)-4-methoxybutyl]hydrazine
CID 105342588
[3-ethyl-1-(3-methylthiophen-2-yl)heptyl]hydrazine
CID 105288379
[1-(4-bromo-2-fluorophenyl)-3-ethylheptyl]hydrazine
CID 105280875
[3-ethyl-1-(3-methoxy-4-methylphenyl)heptyl]hydrazine
CID 105288242
1-(5-bromothiophen-3-yl)-N-ethylhexan-1-amine
CID 105129603
[1-(4-bromothiophen-2-yl)-3-ethylpentyl]hydrazine
CID 105222639

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromothiophen-3-yl)-3-ethylheptyl]hydrazine?
The IUPAC name of [1-(5-bromothiophen-3-yl)-3-ethylheptyl]hydrazine (CID 105288393) is [1-(5-bromothiophen-3-yl)-3-ethylheptyl]hydrazine.
What is the SMILES notation for [1-(5-bromothiophen-3-yl)-3-ethylheptyl]hydrazine?
The canonical SMILES for [1-(5-bromothiophen-3-yl)-3-ethylheptyl]hydrazine is CCCCC(CC)CC(NN)c1csc(Br)c1.
What is the InChIKey of [1-(5-bromothiophen-3-yl)-3-ethylheptyl]hydrazine?
The InChIKey is XGFOVAORVWOUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN2S/c1-3-5-6-10(4-2)7-12(16-15)11-8-13(14)17-9-11/h8-10,12,16H,3-7,15H2,1-2H3.
What are the key properties of [1-(5-bromothiophen-3-yl)-3-ethylheptyl]hydrazine?
[1-(5-bromothiophen-3-yl)-3-ethylheptyl]hydrazine has a molecular weight of 319.31 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromothiophen-3-yl)-3-ethylheptyl]hydrazine is sourced from PubChem (CID 105288393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).