1-(4-bromothiophen-3-yl)-1-N,2-N,2-N,2-tetraethylbutane-1,2-diamine

C16H29BrN2S — CID 79602458

IUPAC1-(4-bromothiophen-3-yl)-1-N,2-N,2-N,2-tetraethylbutane-1,2-diamine
SMILESCCNC(c1cscc1Br)C(CC)(CC)N(CC)CC
InChIInChI=1S/C16H29BrN2S/c1-6-16(7-2,19(9-4)10-5)15(18-8-3)13-11-20-12-14(13)17/h11-12,15,18H,6-10H2,1-5H3
InChIKeyZONRPPZMLKIBBN-UHFFFAOYSA-N
MW361.39 g/mol
LogP5.06
Rot. Bonds9

About 1-(4-bromothiophen-3-yl)-1-N,2-N,2-N,2-tetraethylbutane-1,2-diamine

1-(4-bromothiophen-3-yl)-1-N,2-N,2-N,2-tetraethylbutane-1,2-diamine (PubChem CID 79602458) has the molecular formula C16H29BrN2S and a molecular weight of 361.39 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-1-N,2-N,2-N,2-tetraethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-1-N,2-N,2-N,2-tetraethylbutane-1,2-diamine
PubChem CID79602458
Molecular FormulaC16H29BrN2S
Molecular Weight361.39 g/mol
Exact Mass360.12
IUPAC Name1-(4-bromothiophen-3-yl)-1-N,2-N,2-N,2-tetraethylbutane-1,2-diamine
SMILESCCNC(c1cscc1Br)C(CC)(CC)N(CC)CC
InChIInChI=1S/C16H29BrN2S/c1-6-16(7-2,19(9-4)10-5)15(18-8-3)13-11-20-12-14(13)17/h11-12,15,18H,6-10H2,1-5H3
InChIKeyZONRPPZMLKIBBN-UHFFFAOYSA-N
XLogP5.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.39
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-3-yl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine
CID 105240804
1-(4-bromothiophen-3-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79602860
2-(4-bromothiophen-3-yl)-2-(ethylamino)acetonitrile
CID 130524690
1-(4-bromothiophen-3-yl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
CID 79602252
1-N,2-N,2-N,2-tetraethyl-1-(4-methylphenyl)butane-1,2-diamine
CID 79060138
4-(4-bromothiophen-3-yl)-N-ethylpentan-2-amine
CID 79602709
[1-(4-bromothiophen-3-yl)-2-methoxy-2-methylbutyl]hydrazine
CID 105274324
1-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 105010609
1-(4-bromothiophen-3-yl)-N',N'-diethylpropane-1,3-diamine
CID 79602663
1-(4-bromothiophen-3-yl)-2-ethylbutane-1,2-diol
CID 103449437
1-(4-bromothiophen-3-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 79596411
1-(4-bromothiophen-3-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475795

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-1-N,2-N,2-N,2-tetraethylbutane-1,2-diamine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-1-N,2-N,2-N,2-tetraethylbutane-1,2-diamine (CID 79602458) is 1-(4-bromothiophen-3-yl)-1-N,2-N,2-N,2-tetraethylbutane-1,2-diamine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-1-N,2-N,2-N,2-tetraethylbutane-1,2-diamine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-1-N,2-N,2-N,2-tetraethylbutane-1,2-diamine is CCNC(c1cscc1Br)C(CC)(CC)N(CC)CC.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-1-N,2-N,2-N,2-tetraethylbutane-1,2-diamine?
The InChIKey is ZONRPPZMLKIBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29BrN2S/c1-6-16(7-2,19(9-4)10-5)15(18-8-3)13-11-20-12-14(13)17/h11-12,15,18H,6-10H2,1-5H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-1-N,2-N,2-N,2-tetraethylbutane-1,2-diamine?
1-(4-bromothiophen-3-yl)-1-N,2-N,2-N,2-tetraethylbutane-1,2-diamine has a molecular weight of 361.39 g/mol, XLogP of 5.06, 9 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)-1-N,2-N,2-N,2-tetraethylbutane-1,2-diamine is sourced from PubChem (CID 79602458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).