1-(4-bromothiophen-3-yl)-N,2-dimethylbutan-1-amine

C10H16BrNS — CID 79596424

IUPAC1-(4-bromothiophen-3-yl)-N,2-dimethylbutan-1-amine
SMILESCCC(C)C(NC)c1cscc1Br
InChIInChI=1S/C10H16BrNS/c1-4-7(2)10(12-3)8-5-13-6-9(8)11/h5-7,10,12H,4H2,1-3H3
InChIKeyYBFMMANEYJMRHO-UHFFFAOYSA-N
MW262.22 g/mol
LogP3.82
Rot. Bonds4

About 1-(4-bromothiophen-3-yl)-N,2-dimethylbutan-1-amine

1-(4-bromothiophen-3-yl)-N,2-dimethylbutan-1-amine (PubChem CID 79596424) has the molecular formula C10H16BrNS and a molecular weight of 262.22 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-N,2-dimethylbutan-1-amine
PubChem CID79596424
Molecular FormulaC10H16BrNS
Molecular Weight262.22 g/mol
Exact Mass261.02
IUPAC Name1-(4-bromothiophen-3-yl)-N,2-dimethylbutan-1-amine
SMILESCCC(C)C(NC)c1cscc1Br
InChIInChI=1S/C10H16BrNS/c1-4-7(2)10(12-3)8-5-13-6-9(8)11/h5-7,10,12H,4H2,1-3H3
InChIKeyYBFMMANEYJMRHO-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-methylphenyl)-N,2-dimethylbutan-1-amine
CID 105017381
[1-(4-bromothiophen-3-yl)-2,2-diethoxyethyl]hydrazine
CID 105246270
1-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 105010609
1-(2-bromo-3-fluorophenyl)-N,2-dimethylbutan-1-amine
CID 105017295
[1-(4-bromothiophen-3-yl)-2-cyclopropylpropyl]hydrazine
CID 105322583
1-(4-bromothiophen-3-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 116761996
4-(4-bromothiophen-3-yl)-N-ethylpentan-2-amine
CID 79602709
1-(4-bromothiophen-3-yl)-1-(3-ethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 113299693
1-(4-bromothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105166846
1-(4-bromothiophen-3-yl)-2-ethoxy-3,3-dimethyl-N-propylbutan-1-amine
CID 116726083
1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine
CID 63717044
N,2-dimethyl-1-(2-methylfuran-3-yl)butan-1-amine
CID 104790058

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-N,2-dimethylbutan-1-amine (CID 79596424) is 1-(4-bromothiophen-3-yl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-N,2-dimethylbutan-1-amine is CCC(C)C(NC)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-N,2-dimethylbutan-1-amine?
The InChIKey is YBFMMANEYJMRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNS/c1-4-7(2)10(12-3)8-5-13-6-9(8)11/h5-7,10,12H,4H2,1-3H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-N,2-dimethylbutan-1-amine?
1-(4-bromothiophen-3-yl)-N,2-dimethylbutan-1-amine has a molecular weight of 262.22 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 79596424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).