1-(2,5-dichlorothiophen-3-yl)-N-propylpentan-1-amine

C12H19Cl2NS — CID 43497732

IUPAC1-(2,5-dichlorothiophen-3-yl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H19Cl2NS/c1-3-5-6-10(15-7-4-2)9-8-11(13)16-12(9)14/h8,10,15H,3-7H2,1-2H3
InChIKeyZIHCBDIWTVIMTC-UHFFFAOYSA-N
MW280.26 g/mol
LogP5.29
Rot. Bonds7

About 1-(2,5-dichlorothiophen-3-yl)-N-propylpentan-1-amine

1-(2,5-dichlorothiophen-3-yl)-N-propylpentan-1-amine (PubChem CID 43497732) has the molecular formula C12H19Cl2NS and a molecular weight of 280.26 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-N-propylpentan-1-amine
PubChem CID43497732
Molecular FormulaC12H19Cl2NS
Molecular Weight280.26 g/mol
Exact Mass279.06
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H19Cl2NS/c1-3-5-6-10(15-7-4-2)9-8-11(13)16-12(9)14/h8,10,15H,3-7H2,1-2H3
InChIKeyZIHCBDIWTVIMTC-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.26
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 107969419
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497740
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 107968353
N-[1-(2,5-dichlorothiophen-3-yl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 43497800
N-[2-(4-chloro-3-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 107969557
N-[2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497746
N-[(3,5-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 43497805
1-(4-chloro-2,5-difluorophenyl)-N-propylpentan-1-amine
CID 115833076
N-[2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 107968094
1-(2,5-dichlorothiophen-3-yl)-N-ethylpent-4-en-1-amine
CID 107968368
1-(3-chloro-2-fluorophenyl)-N-propylpentan-1-amine
CID 64714891
N-[cyclobutyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 43497808

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-propylpentan-1-amine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-propylpentan-1-amine (CID 43497732) is 1-(2,5-dichlorothiophen-3-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-N-propylpentan-1-amine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-N-propylpentan-1-amine is CCCCC(NCCC)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-N-propylpentan-1-amine?
The InChIKey is ZIHCBDIWTVIMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Cl2NS/c1-3-5-6-10(15-7-4-2)9-8-11(13)16-12(9)14/h8,10,15H,3-7H2,1-2H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-N-propylpentan-1-amine?
1-(2,5-dichlorothiophen-3-yl)-N-propylpentan-1-amine has a molecular weight of 280.26 g/mol, XLogP of 5.29, 7 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-propylpentan-1-amine is sourced from PubChem (CID 43497732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).