1-(4-bromothiophen-3-yl)-N',N'-diethylpropane-1,3-diamine

C11H19BrN2S — CID 79602663

IUPAC1-(4-bromothiophen-3-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCC(N)c1cscc1Br
InChIInChI=1S/C11H19BrN2S/c1-3-14(4-2)6-5-11(13)9-7-15-8-10(9)12/h7-8,11H,3-6,13H2,1-2H3
InChIKeyQFGPHZWEPDQPPE-UHFFFAOYSA-N
MW291.26 g/mol
LogP3.24
Rot. Bonds6

About 1-(4-bromothiophen-3-yl)-N',N'-diethylpropane-1,3-diamine

1-(4-bromothiophen-3-yl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 79602663) has the molecular formula C11H19BrN2S and a molecular weight of 291.26 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-N',N'-diethylpropane-1,3-diamine
PubChem CID79602663
Molecular FormulaC11H19BrN2S
Molecular Weight291.26 g/mol
Exact Mass290.05
IUPAC Name1-(4-bromothiophen-3-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCC(N)c1cscc1Br
InChIInChI=1S/C11H19BrN2S/c1-3-14(4-2)6-5-11(13)9-7-15-8-10(9)12/h7-8,11H,3-6,13H2,1-2H3
InChIKeyQFGPHZWEPDQPPE-UHFFFAOYSA-N
XLogP3.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-3-yl)pentan-1-amine
CID 79016546
1-(4-bromothiophen-3-yl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 79602867
1-(4-bromothiophen-3-yl)-2-propoxyethanamine
CID 79595871
1-(4-bromothiophen-3-yl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
CID 79602252
N',N'-diethyl-1-(2,3,4-trifluorophenyl)propane-1,3-diamine
CID 79087025
1-[amino-(4-bromothiophen-3-yl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79601627
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N',N'-diethylpropane-1,3-diamine
CID 114657126
1-(4-bromothiophen-3-yl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine
CID 105240804
1-(2-amino-3-pyridinyl)-N',N'-diethylpropane-1,3-diamine
CID 79086742
N',N'-diethyl-1-(2-fluoro-5-methylphenyl)propane-1,3-diamine
CID 79086739
N',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62619570
1-(4-bromothiophen-3-yl)-2-propylpentan-1-ol
CID 115820137

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-N',N'-diethylpropane-1,3-diamine (CID 79602663) is 1-(4-bromothiophen-3-yl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCC(N)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is QFGPHZWEPDQPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2S/c1-3-14(4-2)6-5-11(13)9-7-15-8-10(9)12/h7-8,11H,3-6,13H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-N',N'-diethylpropane-1,3-diamine?
1-(4-bromothiophen-3-yl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 291.26 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 79602663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).