1-(4,5-dibromothiophen-2-yl)-N-ethylpentan-1-amine

C11H17Br2NS — CID 80533934

IUPAC1-(4,5-dibromothiophen-2-yl)-N-ethylpentan-1-amine
SMILESCCCCC(NCC)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H17Br2NS/c1-3-5-6-9(14-4-2)10-7-8(12)11(13)15-10/h7,9,14H,3-6H2,1-2H3
InChIKeyMMTWTWNUSVIZEM-UHFFFAOYSA-N
MW355.14 g/mol
LogP5.11
Rot. Bonds6

About 1-(4,5-dibromothiophen-2-yl)-N-ethylpentan-1-amine

1-(4,5-dibromothiophen-2-yl)-N-ethylpentan-1-amine (PubChem CID 80533934) has the molecular formula C11H17Br2NS and a molecular weight of 355.14 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-N-ethylpentan-1-amine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-N-ethylpentan-1-amine
PubChem CID80533934
Molecular FormulaC11H17Br2NS
Molecular Weight355.14 g/mol
Exact Mass352.94
IUPAC Name1-(4,5-dibromothiophen-2-yl)-N-ethylpentan-1-amine
SMILESCCCCC(NCC)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H17Br2NS/c1-3-5-6-9(14-4-2)10-7-8(12)11(13)15-10/h7,9,14H,3-6H2,1-2H3
InChIKeyMMTWTWNUSVIZEM-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.14
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-dibromothiophen-2-yl)-N-ethylhex-5-yn-1-amine
CID 105034149
1-(4,5-dibromothiophen-2-yl)-N-ethylhex-5-en-1-amine
CID 104987151
1-(4,5-dibromothiophen-2-yl)-N-propylheptan-1-amine
CID 114752623
1-(4,5-dibromothiophen-2-yl)-N-propyloctan-1-amine
CID 80535572
1-(4,5-dibromothiophen-2-yl)-N-ethylethane-1,2-diamine
CID 102839030
1-(4,5-dibromothiophen-2-yl)-N-methylundecan-1-amine
CID 115845955
1-(4,5-dibromothiophen-2-yl)decylhydrazine
CID 105293426
(1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine
CID 171235173
1-(4,5-dibromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105023820
1-(3-bromo-5-methylthiophen-2-yl)-N-ethylnonan-1-amine
CID 65448785
1-(4,5-dibromothiophen-2-yl)heptan-1-ol
CID 114753442
2,3-dibromo-5-(1-bromododecyl)thiophene
CID 80534369

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-ethylpentan-1-amine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-ethylpentan-1-amine (CID 80533934) is 1-(4,5-dibromothiophen-2-yl)-N-ethylpentan-1-amine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-N-ethylpentan-1-amine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-N-ethylpentan-1-amine is CCCCC(NCC)c1cc(Br)c(Br)s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-N-ethylpentan-1-amine?
The InChIKey is MMTWTWNUSVIZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Br2NS/c1-3-5-6-9(14-4-2)10-7-8(12)11(13)15-10/h7,9,14H,3-6H2,1-2H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-N-ethylpentan-1-amine?
1-(4,5-dibromothiophen-2-yl)-N-ethylpentan-1-amine has a molecular weight of 355.14 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-N-ethylpentan-1-amine is sourced from PubChem (CID 80533934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).