1-(2,5-dibromothiophen-3-yl)-N,3,3-trimethylbutan-1-amine

C11H17Br2NS — CID 43486942

IUPAC1-(2,5-dibromothiophen-3-yl)-N,3,3-trimethylbutan-1-amine
SMILESCNC(CC(C)(C)C)c1cc(Br)sc1Br
InChIInChI=1S/C11H17Br2NS/c1-11(2,3)6-8(14-4)7-5-9(12)15-10(7)13/h5,8,14H,6H2,1-4H3
InChIKeyBPQKJYROPHTJDB-UHFFFAOYSA-N
MW355.14 g/mol
LogP4.97
Rot. Bonds3

About 1-(2,5-dibromothiophen-3-yl)-N,3,3-trimethylbutan-1-amine

1-(2,5-dibromothiophen-3-yl)-N,3,3-trimethylbutan-1-amine (PubChem CID 43486942) has the molecular formula C11H17Br2NS and a molecular weight of 355.14 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-N,3,3-trimethylbutan-1-amine
PubChem CID43486942
Molecular FormulaC11H17Br2NS
Molecular Weight355.14 g/mol
Exact Mass352.94
IUPAC Name1-(2,5-dibromothiophen-3-yl)-N,3,3-trimethylbutan-1-amine
SMILESCNC(CC(C)(C)C)c1cc(Br)sc1Br
InChIInChI=1S/C11H17Br2NS/c1-11(2,3)6-8(14-4)7-5-9(12)15-10(7)13/h5,8,14H,6H2,1-4H3
InChIKeyBPQKJYROPHTJDB-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.14
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-N-methyloctan-1-amine
CID 43486900
1-(2,5-dibromothiophen-3-yl)-4-methoxy-N-methylbutan-1-amine
CID 107969328
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43486882
1-(2,5-dibromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 107968131
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 107968755
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107968162
1-(2,5-dibromothiophen-3-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 107968086
1-(2,5-dibromothiophen-3-yl)-2-(furan-3-yl)-N-methylethanamine
CID 107968943
1-(2,5-dibromothiophen-3-yl)-N-methyloct-7-en-1-amine
CID 114022243
1-(4-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 102827298
1-(3-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 65279617
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 107968090

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-N,3,3-trimethylbutan-1-amine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-N,3,3-trimethylbutan-1-amine (CID 43486942) is 1-(2,5-dibromothiophen-3-yl)-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-N,3,3-trimethylbutan-1-amine is CNC(CC(C)(C)C)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-N,3,3-trimethylbutan-1-amine?
The InChIKey is BPQKJYROPHTJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Br2NS/c1-11(2,3)6-8(14-4)7-5-9(12)15-10(7)13/h5,8,14H,6H2,1-4H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-N,3,3-trimethylbutan-1-amine?
1-(2,5-dibromothiophen-3-yl)-N,3,3-trimethylbutan-1-amine has a molecular weight of 355.14 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 43486942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).