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

C8H12Br2N2S — CID 102839030

IUPAC1-(4,5-dibromothiophen-2-yl)-N-ethylethane-1,2-diamine
SMILESCCNC(CN)c1cc(Br)c(Br)s1
InChIInChI=1S/C8H12Br2N2S/c1-2-12-6(4-11)7-3-5(9)8(10)13-7/h3,6,12H,2,4,11H2,1H3
InChIKeyVIHXCAKQYWWSII-UHFFFAOYSA-N
MW328.07 g/mol
LogP2.88
Rot. Bonds4

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

1-(4,5-dibromothiophen-2-yl)-N-ethylethane-1,2-diamine (PubChem CID 102839030) 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-ethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-N-ethylethane-1,2-diamine
PubChem CID102839030
Molecular FormulaC8H12Br2N2S
Molecular Weight328.07 g/mol
Exact Mass325.91
IUPAC Name1-(4,5-dibromothiophen-2-yl)-N-ethylethane-1,2-diamine
SMILESCCNC(CN)c1cc(Br)c(Br)s1
InChIInChI=1S/C8H12Br2N2S/c1-2-12-6(4-11)7-3-5(9)8(10)13-7/h3,6,12H,2,4,11H2,1H3
InChIKeyVIHXCAKQYWWSII-UHFFFAOYSA-N
XLogP2.88
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.07
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-but-2-ynyl-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
CID 102839925
1-(4,5-dibromothiophen-2-yl)-N-ethylpentan-1-amine
CID 80533934
5-[[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]amino]pentan-1-ol
CID 107316823
1-(4,5-dibromothiophen-2-yl)-N-ethylhex-5-yn-1-amine
CID 105034149
1-(4,5-dibromothiophen-2-yl)-N-ethylhex-5-en-1-amine
CID 104987151
1-(4,5-dibromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 80534026
1-(4,5-dibromothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 102839565
1-(4,5-dibromothiophen-2-yl)-N,N-dimethylethane-1,2-diamine
CID 102838170
1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 80533971
1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065425
1-(4,5-dibromothiophen-2-yl)-N-morpholin-4-ylethane-1,2-diamine
CID 102839852
N-[(4,5-dibromothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 80533941

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-ethylethane-1,2-diamine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-ethylethane-1,2-diamine (CID 102839030) is 1-(4,5-dibromothiophen-2-yl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-N-ethylethane-1,2-diamine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-N-ethylethane-1,2-diamine is CCNC(CN)c1cc(Br)c(Br)s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-N-ethylethane-1,2-diamine?
The InChIKey is VIHXCAKQYWWSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Br2N2S/c1-2-12-6(4-11)7-3-5(9)8(10)13-7/h3,6,12H,2,4,11H2,1H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-N-ethylethane-1,2-diamine?
1-(4,5-dibromothiophen-2-yl)-N-ethylethane-1,2-diamine has a molecular weight of 328.07 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 102839030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).