1-(4,5-dibromothiophen-2-yl)-2,2-dimethylbutan-1-amine

C10H15Br2NS — CID 80533046

IUPAC1-(4,5-dibromothiophen-2-yl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)C(N)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H15Br2NS/c1-4-10(2,3)8(13)7-5-6(11)9(12)14-7/h5,8H,4,13H2,1-3H3
InChIKeyYEPLRCXRUVKJAR-UHFFFAOYSA-N
MW341.11 g/mol
LogP4.71
Rot. Bonds3

About 1-(4,5-dibromothiophen-2-yl)-2,2-dimethylbutan-1-amine

1-(4,5-dibromothiophen-2-yl)-2,2-dimethylbutan-1-amine (PubChem CID 80533046) has the molecular formula C10H15Br2NS and a molecular weight of 341.11 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-2,2-dimethylbutan-1-amine
PubChem CID80533046
Molecular FormulaC10H15Br2NS
Molecular Weight341.11 g/mol
Exact Mass338.93
IUPAC Name1-(4,5-dibromothiophen-2-yl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)C(N)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H15Br2NS/c1-4-10(2,3)8(13)7-5-6(11)9(12)14-7/h5,8H,4,13H2,1-3H3
InChIKeyYEPLRCXRUVKJAR-UHFFFAOYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.11
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dibromo-5-(1-bromo-2,2-dimethylbutyl)thiophene
CID 80534571
1-(4,5-dibromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 80534026
1-(4,5-dibromothiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 80532967
(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine
CID 82758330
(1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine
CID 131013810
1-(4,5-dibromothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine
CID 80532874
(1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine
CID 171235173
methyl (3S)-3-amino-3-(4,5-dibromothiophen-2-yl)-2,2-dimethylpropanoate
CID 171244816
1-(4,5-dibromothiophen-2-yl)-2-propylpentan-1-amine
CID 82985514
2,3-dibromo-5-(1-chloro-2,2-dimethylpropyl)thiophene
CID 80534293
2-amino-2-(4,5-dibromothiophen-2-yl)ethanol
CID 103846013
(1R)-1-(4,5-dibromothiophen-2-yl)-4-methylpentan-1-amine
CID 171215563

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2,2-dimethylbutan-1-amine (CID 80533046) is 1-(4,5-dibromothiophen-2-yl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-2,2-dimethylbutan-1-amine is CCC(C)(C)C(N)c1cc(Br)c(Br)s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-2,2-dimethylbutan-1-amine?
The InChIKey is YEPLRCXRUVKJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Br2NS/c1-4-10(2,3)8(13)7-5-6(11)9(12)14-7/h5,8H,4,13H2,1-3H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-2,2-dimethylbutan-1-amine?
1-(4,5-dibromothiophen-2-yl)-2,2-dimethylbutan-1-amine has a molecular weight of 341.11 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 80533046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).