[1-(5-bromo-4-methylthiophen-2-yl)-4,4-dimethylpentyl]hydrazine

C12H21BrN2S — CID 105300069

IUPAC[1-(5-bromo-4-methylthiophen-2-yl)-4,4-dimethylpentyl]hydrazine
SMILESCc1cc(C(CCC(C)(C)C)NN)sc1Br
InChIInChI=1S/C12H21BrN2S/c1-8-7-10(16-11(8)13)9(15-14)5-6-12(2,3)4/h7,9,15H,5-6,14H2,1-4H3
InChIKeyLOHCEDCZHVKOGK-UHFFFAOYSA-N
MW305.29 g/mol
LogP4.15
Rot. Bonds4

About [1-(5-bromo-4-methylthiophen-2-yl)-4,4-dimethylpentyl]hydrazine

[1-(5-bromo-4-methylthiophen-2-yl)-4,4-dimethylpentyl]hydrazine (PubChem CID 105300069) has the molecular formula C12H21BrN2S and a molecular weight of 305.29 g/mol. Its IUPAC name is [1-(5-bromo-4-methylthiophen-2-yl)-4,4-dimethylpentyl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-4-methylthiophen-2-yl)-4,4-dimethylpentyl]hydrazine
PubChem CID105300069
Molecular FormulaC12H21BrN2S
Molecular Weight305.29 g/mol
Exact Mass304.06
IUPAC Name[1-(5-bromo-4-methylthiophen-2-yl)-4,4-dimethylpentyl]hydrazine
SMILESCc1cc(C(CCC(C)(C)C)NN)sc1Br
InChIInChI=1S/C12H21BrN2S/c1-8-7-10(16-11(8)13)9(15-14)5-6-12(2,3)4/h7,9,15H,5-6,14H2,1-4H3
InChIKeyLOHCEDCZHVKOGK-UHFFFAOYSA-N
XLogP4.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 54.15
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

[1-(5-bromo-4-methylthiophen-2-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105313942
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 115849742
[1-(5-bromo-4-methylthiophen-2-yl)-3-methylsulfonylpropyl]hydrazine
CID 114985173
1-(5-bromo-4-methylthiophen-2-yl)heptylhydrazine
CID 105294058
[1-(5-bromo-4-methylthiophen-2-yl)-2-phenylethyl]hydrazine
CID 105283168
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 79992190
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031765
[1-(4-bromo-2-methylphenyl)-4,4-dimethylpentyl]hydrazine
CID 105299902
[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4-dimethylpentyl]hydrazine
CID 105299986
[1-(5-bromo-4-methylthiophen-2-yl)-2-methylpropyl]hydrazine
CID 105281749
1-(5-bromo-4-methylthiophen-2-yl)-N-methylpropan-1-amine
CID 79991964
[1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105315837

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-4-methylthiophen-2-yl)-4,4-dimethylpentyl]hydrazine?
The IUPAC name of [1-(5-bromo-4-methylthiophen-2-yl)-4,4-dimethylpentyl]hydrazine (CID 105300069) is [1-(5-bromo-4-methylthiophen-2-yl)-4,4-dimethylpentyl]hydrazine.
What is the SMILES notation for [1-(5-bromo-4-methylthiophen-2-yl)-4,4-dimethylpentyl]hydrazine?
The canonical SMILES for [1-(5-bromo-4-methylthiophen-2-yl)-4,4-dimethylpentyl]hydrazine is Cc1cc(C(CCC(C)(C)C)NN)sc1Br.
What is the InChIKey of [1-(5-bromo-4-methylthiophen-2-yl)-4,4-dimethylpentyl]hydrazine?
The InChIKey is LOHCEDCZHVKOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2S/c1-8-7-10(16-11(8)13)9(15-14)5-6-12(2,3)4/h7,9,15H,5-6,14H2,1-4H3.
What are the key properties of [1-(5-bromo-4-methylthiophen-2-yl)-4,4-dimethylpentyl]hydrazine?
[1-(5-bromo-4-methylthiophen-2-yl)-4,4-dimethylpentyl]hydrazine has a molecular weight of 305.29 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-4-methylthiophen-2-yl)-4,4-dimethylpentyl]hydrazine is sourced from PubChem (CID 105300069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).