1-(4-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine

C12H20BrNS — CID 102827298

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine
SMILESCNC(CC(C)(C)C)c1cc(Br)c(C)s1
InChIInChI=1S/C12H20BrNS/c1-8-9(13)6-11(15-8)10(14-5)7-12(2,3)4/h6,10,14H,7H2,1-5H3
InChIKeyQDVVNXWNXBXIOX-UHFFFAOYSA-N
MW290.27 g/mol
LogP4.52
Rot. Bonds3

About 1-(4-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine

1-(4-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine (PubChem CID 102827298) has the molecular formula C12H20BrNS and a molecular weight of 290.27 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine
PubChem CID102827298
Molecular FormulaC12H20BrNS
Molecular Weight290.27 g/mol
Exact Mass289.05
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine
SMILESCNC(CC(C)(C)C)c1cc(Br)c(C)s1
InChIInChI=1S/C12H20BrNS/c1-8-9(13)6-11(15-8)10(14-5)7-12(2,3)4/h6,10,14H,7H2,1-5H3
InChIKeyQDVVNXWNXBXIOX-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-chlorothiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 102828241
1-(4-bromo-5-methylthiophen-2-yl)-3,3-dimethylbutan-1-amine
CID 102827056
1-(3-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 65279617
1-(5-chloro-4-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 102763623
1-(4-bromo-5-methylthiophen-2-yl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine
CID 102827406
1-(4-bromo-5-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 102827313
1-(2,5-dibromothiophen-3-yl)-N,3,3-trimethylbutan-1-amine
CID 43486942
1-(4-bromo-5-chlorothiophen-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 102828379
(3R)-3-(4-bromo-5-methylthiophen-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 102841428
1-(4-bromo-5-methylthiophen-2-yl)-N-propyldecan-1-amine
CID 102827908
1-(4-bromo-5-methylthiophen-2-yl)-N-propylheptan-1-amine
CID 102827771
1-(3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine
CID 63890228

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine (CID 102827298) is 1-(4-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine is CNC(CC(C)(C)C)c1cc(Br)c(C)s1.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine?
The InChIKey is QDVVNXWNXBXIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNS/c1-8-9(13)6-11(15-8)10(14-5)7-12(2,3)4/h6,10,14H,7H2,1-5H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine?
1-(4-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine has a molecular weight of 290.27 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 102827298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).