[1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine

C11H19BrN2O2S — CID 102929781

IUPAC[1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
SMILESCOCCOCCC(Cc1sccc1Br)NN
InChIInChI=1S/C11H19BrN2O2S/c1-15-5-6-16-4-2-9(14-13)8-11-10(12)3-7-17-11/h3,7,9,14H,2,4-6,8,13H2,1H3
InChIKeyGKTMMACGRGIYDP-UHFFFAOYSA-N
MW323.26 g/mol
LogP1.94
Rot. Bonds9

About [1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine

[1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine (PubChem CID 102929781) has the molecular formula C11H19BrN2O2S and a molecular weight of 323.26 g/mol. Its IUPAC name is [1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
PubChem CID102929781
Molecular FormulaC11H19BrN2O2S
Molecular Weight323.26 g/mol
Exact Mass322.04
IUPAC Name[1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
SMILESCOCCOCCC(Cc1sccc1Br)NN
InChIInChI=1S/C11H19BrN2O2S/c1-15-5-6-16-4-2-9(14-13)8-11-10(12)3-7-17-11/h3,7,9,14H,2,4-6,8,13H2,1H3
InChIKeyGKTMMACGRGIYDP-UHFFFAOYSA-N
XLogP1.94
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-bromothiophen-2-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105299615
1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine
CID 102928573
[1-(3-bromothiophen-2-yl)-5-methoxyhexan-2-yl]hydrazine
CID 105299566
[1-(3-bromothiophen-2-yl)-3-propoxypropan-2-yl]hydrazine
CID 105210102
4-(3-bromothiophen-2-yl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259328
1-(3-bromothiophen-2-yl)undecan-2-ylhydrazine
CID 105299478
1-(3-bromothiophen-2-yl)decan-2-ylhydrazine
CID 105299600
[1-(2-bromo-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102929724
3-(3-bromothiophen-2-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244859
[1-(3-bromothiophen-2-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105212499
1-(3-bromothiophen-2-yl)pent-4-en-2-ylhydrazine
CID 105269766
[1-(3-bromothiophen-2-yl)-3-cyclohexylpropan-2-yl]hydrazine
CID 105299515

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine (CID 102929781) is [1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine is COCCOCCC(Cc1sccc1Br)NN.
What is the InChIKey of [1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine?
The InChIKey is GKTMMACGRGIYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O2S/c1-15-5-6-16-4-2-9(14-13)8-11-10(12)3-7-17-11/h3,7,9,14H,2,4-6,8,13H2,1H3.
What are the key properties of [1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine?
[1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine has a molecular weight of 323.26 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine is sourced from PubChem (CID 102929781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).