1-(4-bromothiophen-2-yl)-N,N-dimethylbutane-1,4-diamine

C10H17BrN2S — CID 116905160

IUPAC1-(4-bromothiophen-2-yl)-N,N-dimethylbutane-1,4-diamine
SMILESCN(C)C(CCCN)c1cc(Br)cs1
InChIInChI=1S/C10H17BrN2S/c1-13(2)9(4-3-5-12)10-6-8(11)7-14-10/h6-7,9H,3-5,12H2,1-2H3
InChIKeyVDQYNLGNQWEGBQ-UHFFFAOYSA-N
MW277.23 g/mol
LogP2.85
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)-N,N-dimethylbutane-1,4-diamine

1-(4-bromothiophen-2-yl)-N,N-dimethylbutane-1,4-diamine (PubChem CID 116905160) has the molecular formula C10H17BrN2S and a molecular weight of 277.23 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N,N-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N,N-dimethylbutane-1,4-diamine
PubChem CID116905160
Molecular FormulaC10H17BrN2S
Molecular Weight277.23 g/mol
Exact Mass276.03
IUPAC Name1-(4-bromothiophen-2-yl)-N,N-dimethylbutane-1,4-diamine
SMILESCN(C)C(CCCN)c1cc(Br)cs1
InChIInChI=1S/C10H17BrN2S/c1-13(2)9(4-3-5-12)10-6-8(11)7-14-10/h6-7,9H,3-5,12H2,1-2H3
InChIKeyVDQYNLGNQWEGBQ-UHFFFAOYSA-N
XLogP2.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine
CID 116905818
1-(4-bromothiophen-2-yl)-N-methylbutane-1,4-diamine
CID 116949322
2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol
CID 116857267
1-(4-bromothiophen-2-yl)-N,N,2,2-tetramethylbutane-1,4-diamine
CID 116905682
(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine
CID 131145468
2-(4-bromothiophen-2-yl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 83010765
1-(4-bromothiophen-2-yl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62545505
1-(4-bromothiophen-2-yl)-4-ethylsulfonylbutan-1-amine
CID 65095567
(1R)-1-(4-chlorothiophen-2-yl)-N,N-dimethylethane-1,2-diamine
CID 124500651
(4R)-4-amino-4-(4-bromothiophen-2-yl)butan-1-ol;hydrochloride
CID 171198523
1-(4-bromothiophen-2-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 55013909
1-(4-bromothiophen-2-yl)butylhydrazine
CID 105222377

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N,N-dimethylbutane-1,4-diamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N,N-dimethylbutane-1,4-diamine (CID 116905160) is 1-(4-bromothiophen-2-yl)-N,N-dimethylbutane-1,4-diamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N,N-dimethylbutane-1,4-diamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N,N-dimethylbutane-1,4-diamine is CN(C)C(CCCN)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N,N-dimethylbutane-1,4-diamine?
The InChIKey is VDQYNLGNQWEGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2S/c1-13(2)9(4-3-5-12)10-6-8(11)7-14-10/h6-7,9H,3-5,12H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N,N-dimethylbutane-1,4-diamine?
1-(4-bromothiophen-2-yl)-N,N-dimethylbutane-1,4-diamine has a molecular weight of 277.23 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N,N-dimethylbutane-1,4-diamine is sourced from PubChem (CID 116905160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).