1-(4-bromothiophen-2-yl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine

C13H24BrN3S — CID 105241832

IUPAC1-(4-bromothiophen-2-yl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine
SMILESCCC(CC)(C(Cc1cc(Br)cs1)NN)N(C)C
InChIInChI=1S/C13H24BrN3S/c1-5-13(6-2,17(3)4)12(16-15)8-11-7-10(14)9-18-11/h7,9,12,16H,5-6,8,15H2,1-4H3
InChIKeyGPTNSQDBUFXYDI-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.01
Rot. Bonds7

About 1-(4-bromothiophen-2-yl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine

1-(4-bromothiophen-2-yl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine (PubChem CID 105241832) has the molecular formula C13H24BrN3S and a molecular weight of 334.33 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine
PubChem CID105241832
Molecular FormulaC13H24BrN3S
Molecular Weight334.33 g/mol
Exact Mass333.09
IUPAC Name1-(4-bromothiophen-2-yl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine
SMILESCCC(CC)(C(Cc1cc(Br)cs1)NN)N(C)C
InChIInChI=1S/C13H24BrN3S/c1-5-13(6-2,17(3)4)12(16-15)8-11-7-10(14)9-18-11/h7,9,12,16H,5-6,8,15H2,1-4H3
InChIKeyGPTNSQDBUFXYDI-UHFFFAOYSA-N
XLogP3.01
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.01
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-(4-bromothiophen-2-yl)-3-ethyl-3-methoxypentan-2-yl]hydrazine
CID 105275510
1-(4-bromothiophen-2-yl)butan-2-ylhydrazine
CID 105201113
1-(3-bromo-4-methoxyphenyl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine
CID 105241620
[1-(4-bromothiophen-2-yl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105214014
1-(4-bromothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine
CID 62605541
[1-(4-bromothiophen-2-yl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 105225472
3-ethyl-2-hydrazinyl-1-(2-methoxyphenyl)-N,N-dimethylpentan-3-amine
CID 105241886
[2-(4-bromothiophen-2-yl)-1-(3-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105257514
2-[(4-bromothiophen-2-yl)methyl]butan-1-amine
CID 62503815
[1-(4-bromothiophen-2-yl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105299404
3-[3-(dimethylamino)-3-ethyl-2-hydrazinylpentyl]pyridin-2-amine
CID 105241861
[2-(4-bromothiophen-2-yl)-1-(3-ethylthiophen-2-yl)ethyl]hydrazine
CID 105299228

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine (CID 105241832) is 1-(4-bromothiophen-2-yl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine is CCC(CC)(C(Cc1cc(Br)cs1)NN)N(C)C.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine?
The InChIKey is GPTNSQDBUFXYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrN3S/c1-5-13(6-2,17(3)4)12(16-15)8-11-7-10(14)9-18-11/h7,9,12,16H,5-6,8,15H2,1-4H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine?
1-(4-bromothiophen-2-yl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine has a molecular weight of 334.33 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine is sourced from PubChem (CID 105241832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).