1-(5-bromothiophen-2-yl)-1-N-[2-(dimethylamino)ethyl]-1-N-methylbutane-1,2-diamine

C13H24BrN3S — CID 63694426

IUPAC1-(5-bromothiophen-2-yl)-1-N-[2-(dimethylamino)ethyl]-1-N-methylbutane-1,2-diamine
SMILESCCC(N)C(c1ccc(Br)s1)N(C)CCN(C)C
InChIInChI=1S/C13H24BrN3S/c1-5-10(15)13(11-6-7-12(14)18-11)17(4)9-8-16(2)3/h6-7,10,13H,5,8-9,15H2,1-4H3
InChIKeyOWQZVINYSIEBMT-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.78
Rot. Bonds7

About 1-(5-bromothiophen-2-yl)-1-N-[2-(dimethylamino)ethyl]-1-N-methylbutane-1,2-diamine

1-(5-bromothiophen-2-yl)-1-N-[2-(dimethylamino)ethyl]-1-N-methylbutane-1,2-diamine (PubChem CID 63694426) has the molecular formula C13H24BrN3S and a molecular weight of 334.33 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-1-N-[2-(dimethylamino)ethyl]-1-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-1-N-[2-(dimethylamino)ethyl]-1-N-methylbutane-1,2-diamine
PubChem CID63694426
Molecular FormulaC13H24BrN3S
Molecular Weight334.33 g/mol
Exact Mass333.09
IUPAC Name1-(5-bromothiophen-2-yl)-1-N-[2-(dimethylamino)ethyl]-1-N-methylbutane-1,2-diamine
SMILESCCC(N)C(c1ccc(Br)s1)N(C)CCN(C)C
InChIInChI=1S/C13H24BrN3S/c1-5-10(15)13(11-6-7-12(14)18-11)17(4)9-8-16(2)3/h6-7,10,13H,5,8-9,15H2,1-4H3
InChIKeyOWQZVINYSIEBMT-UHFFFAOYSA-N
XLogP2.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-amino-1-(5-bromothiophen-2-yl)butyl]-cyclobutylamino]propan-1-ol
CID 102860107
1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1-(5-methylthiophen-2-yl)propane-1,2-diamine
CID 63695121
1-(5-bromothiophen-2-yl)-1-N-methyl-1-N-(2-phenylethyl)propane-1,2-diamine
CID 65482741
1-(5-chlorothiophen-2-yl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 81058258
1-(5-bromothiophen-2-yl)-1-(4-iodophenoxy)butan-2-amine
CID 63461575
(1S)-1-(5-bromothiophen-2-yl)-2-methylbutan-1-amine;hydrochloride
CID 171222535
1-(5-bromothiophen-2-yl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913500
1-(5-bromothiophen-2-yl)-1-(1H-imidazol-2-ylsulfanyl)butan-2-amine
CID 114000660
1-(5-bromothiophen-2-yl)-1-(4-propylphenoxy)butan-2-amine
CID 63461783
1-(5-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine
CID 66276064
1-(5-bromothiophen-2-yl)propylhydrazine
CID 105222163
1-(4-bromo-2-methylphenoxy)-1-(5-bromothiophen-2-yl)butan-2-amine
CID 63461975

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-1-N-[2-(dimethylamino)ethyl]-1-N-methylbutane-1,2-diamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-1-N-[2-(dimethylamino)ethyl]-1-N-methylbutane-1,2-diamine (CID 63694426) is 1-(5-bromothiophen-2-yl)-1-N-[2-(dimethylamino)ethyl]-1-N-methylbutane-1,2-diamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-1-N-[2-(dimethylamino)ethyl]-1-N-methylbutane-1,2-diamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-1-N-[2-(dimethylamino)ethyl]-1-N-methylbutane-1,2-diamine is CCC(N)C(c1ccc(Br)s1)N(C)CCN(C)C.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-1-N-[2-(dimethylamino)ethyl]-1-N-methylbutane-1,2-diamine?
The InChIKey is OWQZVINYSIEBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrN3S/c1-5-10(15)13(11-6-7-12(14)18-11)17(4)9-8-16(2)3/h6-7,10,13H,5,8-9,15H2,1-4H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-1-N-[2-(dimethylamino)ethyl]-1-N-methylbutane-1,2-diamine?
1-(5-bromothiophen-2-yl)-1-N-[2-(dimethylamino)ethyl]-1-N-methylbutane-1,2-diamine has a molecular weight of 334.33 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-1-N-[2-(dimethylamino)ethyl]-1-N-methylbutane-1,2-diamine is sourced from PubChem (CID 63694426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).