1-(5-ethylthiophen-2-yl)-N-propylbutan-1-amine

C13H23NS — CID 43494311

IUPAC1-(5-ethylthiophen-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1ccc(CC)s1
InChIInChI=1S/C13H23NS/c1-4-7-12(14-10-5-2)13-9-8-11(6-3)15-13/h8-9,12,14H,4-7,10H2,1-3H3
InChIKeyOLLWCDWSOUBFMS-UHFFFAOYSA-N
MW225.40 g/mol
LogP4.15
Rot. Bonds7

About 1-(5-ethylthiophen-2-yl)-N-propylbutan-1-amine

1-(5-ethylthiophen-2-yl)-N-propylbutan-1-amine (PubChem CID 43494311) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-N-propylbutan-1-amine
PubChem CID43494311
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name1-(5-ethylthiophen-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1ccc(CC)s1
InChIInChI=1S/C13H23NS/c1-4-7-12(14-10-5-2)13-9-8-11(6-3)15-13/h8-9,12,14H,4-7,10H2,1-3H3
InChIKeyOLLWCDWSOUBFMS-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-1-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine
CID 43494349
1-(5-ethylthiophen-2-yl)-3,5,5-trimethyl-N-propylhexan-1-amine
CID 43494313
N-[2-(5-ethylthiophen-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115842479
1-(5-ethylthiophen-2-yl)-2-methyl-N-propylpropan-1-amine
CID 43494310
1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287958
N-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 105003465
N-[2-(5-bromo-2-fluorophenyl)-1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 115839298
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287928
N-[1-(5-ethylthiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 105012328
N-ethyl-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine
CID 62344671
N-ethyl-1-(5-ethylthiophen-2-yl)-2-methylpentan-1-amine
CID 43488382
1-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62540616

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-N-propylbutan-1-amine (CID 43494311) is 1-(5-ethylthiophen-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-N-propylbutan-1-amine is CCCNC(CCC)c1ccc(CC)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-N-propylbutan-1-amine?
The InChIKey is OLLWCDWSOUBFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-4-7-12(14-10-5-2)13-9-8-11(6-3)15-13/h8-9,12,14H,4-7,10H2,1-3H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-N-propylbutan-1-amine?
1-(5-ethylthiophen-2-yl)-N-propylbutan-1-amine has a molecular weight of 225.40 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 43494311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).