2-(4-butan-2-ylpiperazin-1-yl)-2-(4,5-dibromothiophen-2-yl)ethanamine

C14H23Br2N3S — CID 102839099

IUPAC2-(4-butan-2-ylpiperazin-1-yl)-2-(4,5-dibromothiophen-2-yl)ethanamine
SMILESCCC(C)N1CCN(C(CN)c2cc(Br)c(Br)s2)CC1
InChIInChI=1S/C14H23Br2N3S/c1-3-10(2)18-4-6-19(7-5-18)12(9-17)13-8-11(15)14(16)20-13/h8,10,12H,3-7,9,17H2,1-2H3
InChIKeyJJNZIGDHXPJBNL-UHFFFAOYSA-N
MW425.23 g/mol
LogP3.69
Rot. Bonds5

About 2-(4-butan-2-ylpiperazin-1-yl)-2-(4,5-dibromothiophen-2-yl)ethanamine

2-(4-butan-2-ylpiperazin-1-yl)-2-(4,5-dibromothiophen-2-yl)ethanamine (PubChem CID 102839099) has the molecular formula C14H23Br2N3S and a molecular weight of 425.23 g/mol. Its IUPAC name is 2-(4-butan-2-ylpiperazin-1-yl)-2-(4,5-dibromothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-butan-2-ylpiperazin-1-yl)-2-(4,5-dibromothiophen-2-yl)ethanamine
PubChem CID102839099
Molecular FormulaC14H23Br2N3S
Molecular Weight425.23 g/mol
Exact Mass423.00
IUPAC Name2-(4-butan-2-ylpiperazin-1-yl)-2-(4,5-dibromothiophen-2-yl)ethanamine
SMILESCCC(C)N1CCN(C(CN)c2cc(Br)c(Br)s2)CC1
InChIInChI=1S/C14H23Br2N3S/c1-3-10(2)18-4-6-19(7-5-18)12(9-17)13-8-11(15)14(16)20-13/h8,10,12H,3-7,9,17H2,1-2H3
InChIKeyJJNZIGDHXPJBNL-UHFFFAOYSA-N
XLogP3.69
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.23
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dibromothiophen-2-yl)-2-piperidin-1-ylethanamine
CID 102838136
2-(4,5-dibromothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 102839249
2-(azocan-1-yl)-2-(4-bromo-5-methylthiophen-2-yl)ethanamine
CID 102838255
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 102838072
2-(4,5-dibromothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 102840044
2-(4,5-dibromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine
CID 102839160
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 102839158
2-(4-butan-2-ylpiperazin-1-yl)-2-(3-chlorophenyl)ethanamine
CID 62773618
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 102839181
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 102839070
ethyl 3-(4,5-dibromothiophen-2-yl)-3-piperidin-1-ylpropanoate
CID 102844868
2-(4-bromo-5-methylthiophen-2-yl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531970

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)-2-(4,5-dibromothiophen-2-yl)ethanamine?
The IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)-2-(4,5-dibromothiophen-2-yl)ethanamine (CID 102839099) is 2-(4-butan-2-ylpiperazin-1-yl)-2-(4,5-dibromothiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-butan-2-ylpiperazin-1-yl)-2-(4,5-dibromothiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4-butan-2-ylpiperazin-1-yl)-2-(4,5-dibromothiophen-2-yl)ethanamine is CCC(C)N1CCN(C(CN)c2cc(Br)c(Br)s2)CC1.
What is the InChIKey of 2-(4-butan-2-ylpiperazin-1-yl)-2-(4,5-dibromothiophen-2-yl)ethanamine?
The InChIKey is JJNZIGDHXPJBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23Br2N3S/c1-3-10(2)18-4-6-19(7-5-18)12(9-17)13-8-11(15)14(16)20-13/h8,10,12H,3-7,9,17H2,1-2H3.
What are the key properties of 2-(4-butan-2-ylpiperazin-1-yl)-2-(4,5-dibromothiophen-2-yl)ethanamine?
2-(4-butan-2-ylpiperazin-1-yl)-2-(4,5-dibromothiophen-2-yl)ethanamine has a molecular weight of 425.23 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylpiperazin-1-yl)-2-(4,5-dibromothiophen-2-yl)ethanamine is sourced from PubChem (CID 102839099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).