1-(5-bromothiophen-3-yl)-N,3-dimethylbutan-1-amine

C10H16BrNS — CID 105083401

IUPAC1-(5-bromothiophen-3-yl)-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)C)c1csc(Br)c1
InChIInChI=1S/C10H16BrNS/c1-7(2)4-9(12-3)8-5-10(11)13-6-8/h5-7,9,12H,4H2,1-3H3
InChIKeyVYHZYJHOGQZDEJ-UHFFFAOYSA-N
MW262.22 g/mol
LogP3.82
Rot. Bonds4

About 1-(5-bromothiophen-3-yl)-N,3-dimethylbutan-1-amine

1-(5-bromothiophen-3-yl)-N,3-dimethylbutan-1-amine (PubChem CID 105083401) has the molecular formula C10H16BrNS and a molecular weight of 262.22 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-N,3-dimethylbutan-1-amine
PubChem CID105083401
Molecular FormulaC10H16BrNS
Molecular Weight262.22 g/mol
Exact Mass261.02
IUPAC Name1-(5-bromothiophen-3-yl)-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)C)c1csc(Br)c1
InChIInChI=1S/C10H16BrNS/c1-7(2)4-9(12-3)8-5-10(11)13-6-8/h5-7,9,12H,4H2,1-3H3
InChIKeyVYHZYJHOGQZDEJ-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-(5-bromothiophen-3-yl)-N,4-dimethylpent-4-en-1-amine
CID 105182683
1-(5-bromothiophen-3-yl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412702
1-(5-bromothiophen-3-yl)-N-methylhex-5-yn-1-amine
CID 105179686
1-(5-bromothiophen-3-yl)-N-methyloct-7-en-1-amine
CID 107011509
[1-(5-bromothiophen-3-yl)-3-methylhexyl]hydrazine
CID 105298248
2-(5-bromothiophen-3-yl)-2-(methylamino)acetic acid
CID 130524708
1-(5-bromothiophen-3-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 105159570
1-(5-bromothiophen-3-yl)-2-methylpropan-1-ol
CID 105133536
(1R)-1-(5-bromothiophen-3-yl)ethanamine
CID 96861697
1-(5-bromothiophen-3-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029803
N-ethyl-3-methyl-1-(5-methylthiophen-3-yl)butan-1-amine
CID 65104847
1-(5-bromothiophen-3-yl)-N-methylprop-2-yn-1-amine
CID 105158411

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-N,3-dimethylbutan-1-amine (CID 105083401) is 1-(5-bromothiophen-3-yl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-N,3-dimethylbutan-1-amine is CNC(CC(C)C)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-N,3-dimethylbutan-1-amine?
The InChIKey is VYHZYJHOGQZDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNS/c1-7(2)4-9(12-3)8-5-10(11)13-6-8/h5-7,9,12H,4H2,1-3H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-N,3-dimethylbutan-1-amine?
1-(5-bromothiophen-3-yl)-N,3-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-(5-bromothiophen-3-yl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 105083401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).