3-(3-bromothiophen-2-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine

C9H16BrN3S — CID 105244859

IUPAC3-(3-bromothiophen-2-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
SMILESCN(C)CC(Cc1sccc1Br)NN
InChIInChI=1S/C9H16BrN3S/c1-13(2)6-7(12-11)5-9-8(10)3-4-14-9/h3-4,7,12H,5-6,11H2,1-2H3
InChIKeyJNRRUCGPOCPITK-UHFFFAOYSA-N
MW278.22 g/mol
LogP1.45
Rot. Bonds5

About 3-(3-bromothiophen-2-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine

3-(3-bromothiophen-2-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine (PubChem CID 105244859) has the molecular formula C9H16BrN3S and a molecular weight of 278.22 g/mol. Its IUPAC name is 3-(3-bromothiophen-2-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromothiophen-2-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
PubChem CID105244859
Molecular FormulaC9H16BrN3S
Molecular Weight278.22 g/mol
Exact Mass277.02
IUPAC Name3-(3-bromothiophen-2-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
SMILESCN(C)CC(Cc1sccc1Br)NN
InChIInChI=1S/C9H16BrN3S/c1-13(2)6-7(12-11)5-9-8(10)3-4-14-9/h3-4,7,12H,5-6,11H2,1-2H3
InChIKeyJNRRUCGPOCPITK-UHFFFAOYSA-N
XLogP1.45
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 51.45
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

4-(3-bromothiophen-2-yl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259328
3-(3-bromothiophen-2-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79088293
1-(3-bromothiophen-2-yl)pent-4-en-2-ylhydrazine
CID 105269766
1-(3-bromothiophen-2-yl)undecan-2-ylhydrazine
CID 105299478
1-(3-bromothiophen-2-yl)decan-2-ylhydrazine
CID 105299600
[1-(3-bromothiophen-2-yl)-3-cyclohexylpropan-2-yl]hydrazine
CID 105299515
[1-(3-bromothiophen-2-yl)-5-methoxyhexan-2-yl]hydrazine
CID 105299566
[1-(3-bromothiophen-2-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105299615
[1-(3-bromothiophen-2-yl)-3-propoxypropan-2-yl]hydrazine
CID 105210102
4-(3-bromothiophen-2-yl)-3-hydrazinyl-N,N,2-trimethylbutan-2-amine
CID 105239061
[1-(3-bromothiophen-2-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105212499
[1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102929781

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromothiophen-2-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(3-bromothiophen-2-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine (CID 105244859) is 3-(3-bromothiophen-2-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3-bromothiophen-2-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(3-bromothiophen-2-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine is CN(C)CC(Cc1sccc1Br)NN.
What is the InChIKey of 3-(3-bromothiophen-2-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine?
The InChIKey is JNRRUCGPOCPITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN3S/c1-13(2)6-7(12-11)5-9-8(10)3-4-14-9/h3-4,7,12H,5-6,11H2,1-2H3.
What are the key properties of 3-(3-bromothiophen-2-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine?
3-(3-bromothiophen-2-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine has a molecular weight of 278.22 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromothiophen-2-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 105244859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).