2-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylcyclopropyl)ethanamine

C13H21NS — CID 65422780

IUPAC2-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylcyclopropyl)ethanamine
SMILESCCc1ccc(CC(NC)C2CC2C)s1
InChIInChI=1S/C13H21NS/c1-4-10-5-6-11(15-10)8-13(14-3)12-7-9(12)2/h5-6,9,12-14H,4,7-8H2,1-3H3
InChIKeyWCINCTQLYONJSJ-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.10
Rot. Bonds5

About 2-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylcyclopropyl)ethanamine

2-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylcyclopropyl)ethanamine (PubChem CID 65422780) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylcyclopropyl)ethanamine
PubChem CID65422780
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name2-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylcyclopropyl)ethanamine
SMILESCCc1ccc(CC(NC)C2CC2C)s1
InChIInChI=1S/C13H21NS/c1-4-10-5-6-11(15-10)8-13(14-3)12-7-9(12)2/h5-6,9,12-14H,4,7-8H2,1-3H3
InChIKeyWCINCTQLYONJSJ-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylcyclopropyl)ethanamine?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylcyclopropyl)ethanamine (CID 65422780) is 2-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylcyclopropyl)ethanamine.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylcyclopropyl)ethanamine?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylcyclopropyl)ethanamine is CCc1ccc(CC(NC)C2CC2C)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylcyclopropyl)ethanamine?
The InChIKey is WCINCTQLYONJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-4-10-5-6-11(15-10)8-13(14-3)12-7-9(12)2/h5-6,9,12-14H,4,7-8H2,1-3H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylcyclopropyl)ethanamine?
2-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylcyclopropyl)ethanamine has a molecular weight of 223.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylcyclopropyl)ethanamine is sourced from PubChem (CID 65422780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).