1-(4-bromothiophen-3-yl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine

C13H24BrN3S — CID 105240804

IUPAC1-(4-bromothiophen-3-yl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine
SMILESCCN(CC)C(C)(CC)C(NN)c1cscc1Br
InChIInChI=1S/C13H24BrN3S/c1-5-13(4,17(6-2)7-3)12(16-15)10-8-18-9-11(10)14/h8-9,12,16H,5-7,15H2,1-4H3
InChIKeyVZYYGLBSKBVZMM-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.53
Rot. Bonds7

About 1-(4-bromothiophen-3-yl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine

1-(4-bromothiophen-3-yl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine (PubChem CID 105240804) has the molecular formula C13H24BrN3S and a molecular weight of 334.33 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine
PubChem CID105240804
Molecular FormulaC13H24BrN3S
Molecular Weight334.33 g/mol
Exact Mass333.09
IUPAC Name1-(4-bromothiophen-3-yl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine
SMILESCCN(CC)C(C)(CC)C(NN)c1cscc1Br
InChIInChI=1S/C13H24BrN3S/c1-5-13(4,17(6-2)7-3)12(16-15)10-8-18-9-11(10)14/h8-9,12,16H,5-7,15H2,1-4H3
InChIKeyVZYYGLBSKBVZMM-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
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'}

Analyze 1-(4-bromothiophen-3-yl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromothiophen-3-yl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
CID 79602252
[1-(4-bromothiophen-3-yl)-2-methoxy-2-methylbutyl]hydrazine
CID 105274324
1-(4-bromothiophen-3-yl)-1-N,2-N,2-N,2-tetraethylbutane-1,2-diamine
CID 79602458
N,N-diethyl-1-hydrazinyl-2-methyl-1-(2,4,5-trimethylphenyl)butan-2-amine
CID 105240936
1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine
CID 106945368
1-(2,5-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine
CID 105240869
1-(2-ethoxyphenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine
CID 105240781
N,N-diethyl-1-(2-fluoro-5-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine
CID 105240808
N,N-diethyl-1-(4-fluoro-3-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine
CID 105240807
1-(4-bromothiophen-3-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79602860
N,N-diethyl-1-(3-ethylphenyl)-1-hydrazinyl-2-methylbutan-2-amine
CID 105240787
1-(4-bromothiophen-3-yl)-N',N'-diethylpropane-1,3-diamine
CID 79602663

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine (CID 105240804) is 1-(4-bromothiophen-3-yl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine is CCN(CC)C(C)(CC)C(NN)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine?
The InChIKey is VZYYGLBSKBVZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrN3S/c1-5-13(4,17(6-2)7-3)12(16-15)10-8-18-9-11(10)14/h8-9,12,16H,5-7,15H2,1-4H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine?
1-(4-bromothiophen-3-yl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine has a molecular weight of 334.33 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine is sourced from PubChem (CID 105240804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).