1-(2,5-dichlorothiophen-3-yl)-N-ethylpent-4-en-1-amine

C11H15Cl2NS — CID 107968368

IUPAC1-(2,5-dichlorothiophen-3-yl)-N-ethylpent-4-en-1-amine
SMILESC=CCCC(NCC)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H15Cl2NS/c1-3-5-6-9(14-4-2)8-7-10(12)15-11(8)13/h3,7,9,14H,1,4-6H2,2H3
InChIKeyYZENTGASRAKWJU-UHFFFAOYSA-N
MW264.22 g/mol
LogP4.67
Rot. Bonds6

About 1-(2,5-dichlorothiophen-3-yl)-N-ethylpent-4-en-1-amine

1-(2,5-dichlorothiophen-3-yl)-N-ethylpent-4-en-1-amine (PubChem CID 107968368) has the molecular formula C11H15Cl2NS and a molecular weight of 264.22 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-N-ethylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-N-ethylpent-4-en-1-amine
PubChem CID107968368
Molecular FormulaC11H15Cl2NS
Molecular Weight264.22 g/mol
Exact Mass263.03
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-N-ethylpent-4-en-1-amine
SMILESC=CCCC(NCC)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H15Cl2NS/c1-3-5-6-9(14-4-2)8-7-10(12)15-11(8)13/h3,7,9,14H,1,4-6H2,2H3
InChIKeyYZENTGASRAKWJU-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)pent-4-enylhydrazine
CID 107970341
1-(5-chlorothiophen-2-yl)-N-ethylpent-4-en-1-amine
CID 104987378
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 107968353
1-(2,5-dichlorothiophen-3-yl)oct-7-enylhydrazine
CID 107970721
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 107968303
1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
1-(2,5-dichlorothiophen-3-yl)-N-propylpentan-1-amine
CID 43497732
1-(2-chloro-3-methylphenyl)-N-ethylpent-4-en-1-amine
CID 104987508
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 107968196
1-(5-chloro-2-methoxyphenyl)-N-ethylpent-4-en-1-amine
CID 104987543
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 107968621
1-(2,4-dibromophenyl)-N-ethylpent-4-en-1-amine
CID 107945979

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-ethylpent-4-en-1-amine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-ethylpent-4-en-1-amine (CID 107968368) is 1-(2,5-dichlorothiophen-3-yl)-N-ethylpent-4-en-1-amine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-N-ethylpent-4-en-1-amine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-N-ethylpent-4-en-1-amine is C=CCCC(NCC)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-N-ethylpent-4-en-1-amine?
The InChIKey is YZENTGASRAKWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NS/c1-3-5-6-9(14-4-2)8-7-10(12)15-11(8)13/h3,7,9,14H,1,4-6H2,2H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-N-ethylpent-4-en-1-amine?
1-(2,5-dichlorothiophen-3-yl)-N-ethylpent-4-en-1-amine has a molecular weight of 264.22 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-N-ethylpent-4-en-1-amine is sourced from PubChem (CID 107968368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).