1-(4,5-dibromothiophen-2-yl)-N,N-dimethylethane-1,2-diamine

C8H12Br2N2S — CID 102838170

IUPAC1-(4,5-dibromothiophen-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CN)c1cc(Br)c(Br)s1
InChIInChI=1S/C8H12Br2N2S/c1-12(2)6(4-11)7-3-5(9)8(10)13-7/h3,6H,4,11H2,1-2H3
InChIKeyDPGQNCCEIHMJBS-UHFFFAOYSA-N
MW328.07 g/mol
LogP2.83
Rot. Bonds3

About 1-(4,5-dibromothiophen-2-yl)-N,N-dimethylethane-1,2-diamine

1-(4,5-dibromothiophen-2-yl)-N,N-dimethylethane-1,2-diamine (PubChem CID 102838170) has the molecular formula C8H12Br2N2S and a molecular weight of 328.07 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-N,N-dimethylethane-1,2-diamine
PubChem CID102838170
Molecular FormulaC8H12Br2N2S
Molecular Weight328.07 g/mol
Exact Mass325.91
IUPAC Name1-(4,5-dibromothiophen-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CN)c1cc(Br)c(Br)s1
InChIInChI=1S/C8H12Br2N2S/c1-12(2)6(4-11)7-3-5(9)8(10)13-7/h3,6H,4,11H2,1-2H3
InChIKeyDPGQNCCEIHMJBS-UHFFFAOYSA-N
XLogP2.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.07
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(4,5-dibromothiophen-2-yl)-N-methylethane-1,2-diamine
CID 102838179
2-N-[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188183
1-(4,5-dibromothiophen-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 102838105
1-(4,5-dibromothiophen-2-yl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 102839680
1-(4,5-dibromothiophen-2-yl)-N-ethylethane-1,2-diamine
CID 102839030
N-but-2-ynyl-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
CID 102839925
1-(4,5-dibromothiophen-2-yl)ethylhydrazine
CID 105282646
(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine
CID 82758330
N,N-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diamine
CID 82406034
1-(4,5-dibromothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 102839565
3-amino-1-(4,5-dibromothiophen-2-yl)propan-1-ol
CID 80538163
(1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine
CID 131013810

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N,N-dimethylethane-1,2-diamine (CID 102838170) is 1-(4,5-dibromothiophen-2-yl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-N,N-dimethylethane-1,2-diamine is CN(C)C(CN)c1cc(Br)c(Br)s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is DPGQNCCEIHMJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Br2N2S/c1-12(2)6(4-11)7-3-5(9)8(10)13-7/h3,6H,4,11H2,1-2H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-N,N-dimethylethane-1,2-diamine?
1-(4,5-dibromothiophen-2-yl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 328.07 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 102838170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).