1-(4,5-dibromothiophen-2-yl)-3-methylbutane-1,2-diamine

C9H14Br2N2S — CID 130870793

IUPAC1-(4,5-dibromothiophen-2-yl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(N)C(N)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H14Br2N2S/c1-4(2)7(12)8(13)6-3-5(10)9(11)14-6/h3-4,7-8H,12-13H2,1-2H3
InChIKeyHNQLUTOWJIXWKK-UHFFFAOYSA-N
MW342.10 g/mol
LogP3.26
Rot. Bonds3

About 1-(4,5-dibromothiophen-2-yl)-3-methylbutane-1,2-diamine

1-(4,5-dibromothiophen-2-yl)-3-methylbutane-1,2-diamine (PubChem CID 130870793) has the molecular formula C9H14Br2N2S and a molecular weight of 342.10 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-3-methylbutane-1,2-diamine
PubChem CID130870793
Molecular FormulaC9H14Br2N2S
Molecular Weight342.10 g/mol
Exact Mass339.92
IUPAC Name1-(4,5-dibromothiophen-2-yl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(N)C(N)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H14Br2N2S/c1-4(2)7(12)8(13)6-3-5(10)9(11)14-6/h3-4,7-8H,12-13H2,1-2H3
InChIKeyHNQLUTOWJIXWKK-UHFFFAOYSA-N
XLogP3.26
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.10
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1-cyclopropyl-2-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
CID 130826862
1-(4,5-dibromothiophen-2-yl)-2-propylpentan-1-amine
CID 82985514
(1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine
CID 131013810
1-(4,5-dibromothiophen-2-yl)ethylhydrazine
CID 105282646
(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine
CID 82758330
(1R)-1-(4,5-dibromothiophen-2-yl)-4-methylpentan-1-amine
CID 171215563
(4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanamine
CID 80533023
(4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methanamine
CID 80532994
1-(4,5-dibromothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine
CID 80532874
cyclobutyl-(4,5-dibromothiophen-2-yl)methanamine
CID 80533020
(4,5-dibromothiophen-2-yl)-(2-methylcyclopropyl)methanamine
CID 80533050
(1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine
CID 171235173

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-3-methylbutane-1,2-diamine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-3-methylbutane-1,2-diamine (CID 130870793) is 1-(4,5-dibromothiophen-2-yl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-3-methylbutane-1,2-diamine is CC(C)C(N)C(N)c1cc(Br)c(Br)s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-3-methylbutane-1,2-diamine?
The InChIKey is HNQLUTOWJIXWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Br2N2S/c1-4(2)7(12)8(13)6-3-5(10)9(11)14-6/h3-4,7-8H,12-13H2,1-2H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-3-methylbutane-1,2-diamine?
1-(4,5-dibromothiophen-2-yl)-3-methylbutane-1,2-diamine has a molecular weight of 342.10 g/mol, XLogP of 3.26, 3 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)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 130870793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).