[1-(3-bromothiophen-2-yl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine

C13H23BrN2OS — CID 105275170

IUPAC[1-(3-bromothiophen-2-yl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine
SMILESCCOC(CC)(CC)C(Cc1sccc1Br)NN
InChIInChI=1S/C13H23BrN2OS/c1-4-13(5-2,17-6-3)12(16-15)9-11-10(14)7-8-18-11/h7-8,12,16H,4-6,9,15H2,1-3H3
InChIKeyHEBOVLBDNSJJLG-UHFFFAOYSA-N
MW335.31 g/mol
LogP3.48
Rot. Bonds8

About [1-(3-bromothiophen-2-yl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine

[1-(3-bromothiophen-2-yl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine (PubChem CID 105275170) has the molecular formula C13H23BrN2OS and a molecular weight of 335.31 g/mol. Its IUPAC name is [1-(3-bromothiophen-2-yl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromothiophen-2-yl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine
PubChem CID105275170
Molecular FormulaC13H23BrN2OS
Molecular Weight335.31 g/mol
Exact Mass334.07
IUPAC Name[1-(3-bromothiophen-2-yl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine
SMILESCCOC(CC)(CC)C(Cc1sccc1Br)NN
InChIInChI=1S/C13H23BrN2OS/c1-4-13(5-2,17-6-3)12(16-15)9-11-10(14)7-8-18-11/h7-8,12,16H,4-6,9,15H2,1-3H3
InChIKeyHEBOVLBDNSJJLG-UHFFFAOYSA-N
XLogP3.48
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-bromothiophen-2-yl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274525
[3-ethoxy-3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-yl]hydrazine
CID 105275180
4-(3-bromothiophen-2-yl)-3-hydrazinyl-N,N,2-trimethylbutan-2-amine
CID 105239061
1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
CID 116757961
[1-(3-bromothiophen-2-yl)-3-methyl-3-morpholin-4-ylpentan-2-yl]hydrazine
CID 105241568
[1-(3-bromothiophen-2-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105299615
[1-(2-bromo-5-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine
CID 105275091
[1-(5-chlorothiophen-2-yl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine
CID 105275195
[1-(3-bromothiophen-2-yl)-3-propoxypropan-2-yl]hydrazine
CID 105210102
1-(3-bromothiophen-2-yl)-N,3-diethyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79057408
1,2-bis(3-bromothiophen-2-yl)ethylhydrazine
CID 105299585
3-(3-bromothiophen-2-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244859

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromothiophen-2-yl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromothiophen-2-yl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine (CID 105275170) is [1-(3-bromothiophen-2-yl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromothiophen-2-yl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromothiophen-2-yl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine is CCOC(CC)(CC)C(Cc1sccc1Br)NN.
What is the InChIKey of [1-(3-bromothiophen-2-yl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine?
The InChIKey is HEBOVLBDNSJJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN2OS/c1-4-13(5-2,17-6-3)12(16-15)9-11-10(14)7-8-18-11/h7-8,12,16H,4-6,9,15H2,1-3H3.
What are the key properties of [1-(3-bromothiophen-2-yl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine?
[1-(3-bromothiophen-2-yl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine has a molecular weight of 335.31 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromothiophen-2-yl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine is sourced from PubChem (CID 105275170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).