2-N-[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C13H23Br2N3S — CID 103188183

IUPAC2-N-[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(C(C)CN(C)C)C(CN)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H23Br2N3S/c1-5-18(9(2)8-17(3)4)11(7-16)12-6-10(14)13(15)19-12/h6,9,11H,5,7-8,16H2,1-4H3
InChIKeyWFQPEIJNYKOGPV-UHFFFAOYSA-N
MW413.22 g/mol
LogP3.54
Rot. Bonds7

About 2-N-[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103188183) has the molecular formula C13H23Br2N3S and a molecular weight of 413.22 g/mol. Its IUPAC name is 2-N-[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103188183
Molecular FormulaC13H23Br2N3S
Molecular Weight413.22 g/mol
Exact Mass411.00
IUPAC Name2-N-[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(C(C)CN(C)C)C(CN)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H23Br2N3S/c1-5-18(9(2)8-17(3)4)11(7-16)12-6-10(14)13(15)19-12/h6,9,11H,5,7-8,16H2,1-4H3
InChIKeyWFQPEIJNYKOGPV-UHFFFAOYSA-N
XLogP3.54
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.22
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-dibromothiophen-2-yl)-N,N-dimethylethane-1,2-diamine
CID 102838170
1-(4,5-dibromothiophen-2-yl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 102839680
N-benzyl-1-(4,5-dibromothiophen-2-yl)-N-methylethane-1,2-diamine
CID 102838179
1-(4,5-dibromothiophen-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 102838105
1-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 102839682
2-N-[2-amino-1-(2-chlorophenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103187856
1-(4,5-dibromothiophen-2-yl)-N-ethylethane-1,2-diamine
CID 102839030
(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine
CID 82758330
1-(4-bromo-5-methylthiophen-2-yl)-N-[2-(dimethylamino)ethyl]-N-propylethane-1,2-diamine
CID 102838940
(1R)-1-(4,5-dibromothiophen-2-yl)-4-methylpentan-1-amine
CID 171215563
2-N-[2-amino-1-(3-chloro-4-methoxyphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188224
2-N-[2-amino-1-(3-cyclopropylphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188232

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103188183) is 2-N-[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(C(C)CN(C)C)C(CN)c1cc(Br)c(Br)s1.
What is the InChIKey of 2-N-[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is WFQPEIJNYKOGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23Br2N3S/c1-5-18(9(2)8-17(3)4)11(7-16)12-6-10(14)13(15)19-12/h6,9,11H,5,7-8,16H2,1-4H3.
What are the key properties of 2-N-[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 413.22 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103188183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).