2-ethylsulfanyl-N-methyl-1-(2-methylquinolin-6-yl)ethanamine

C15H20N2S — CID 81232115

IUPAC2-ethylsulfanyl-N-methyl-1-(2-methylquinolin-6-yl)ethanamine
SMILESCCSCC(NC)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C15H20N2S/c1-4-18-10-15(16-3)13-7-8-14-12(9-13)6-5-11(2)17-14/h5-9,15-16H,4,10H2,1-3H3
InChIKeyLIYKPUKQUZFVLS-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.56
Rot. Bonds5

About 2-ethylsulfanyl-N-methyl-1-(2-methylquinolin-6-yl)ethanamine

2-ethylsulfanyl-N-methyl-1-(2-methylquinolin-6-yl)ethanamine (PubChem CID 81232115) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-methyl-1-(2-methylquinolin-6-yl)ethanamine.

Molecular Properties

Compound Name2-ethylsulfanyl-N-methyl-1-(2-methylquinolin-6-yl)ethanamine
PubChem CID81232115
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2-ethylsulfanyl-N-methyl-1-(2-methylquinolin-6-yl)ethanamine
SMILESCCSCC(NC)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C15H20N2S/c1-4-18-10-15(16-3)13-7-8-14-12(9-13)6-5-11(2)17-14/h5-9,15-16H,4,10H2,1-3H3
InChIKeyLIYKPUKQUZFVLS-UHFFFAOYSA-N
XLogP3.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-methyl-1-(2-methylquinolin-6-yl)ethanamine?
The IUPAC name of 2-ethylsulfanyl-N-methyl-1-(2-methylquinolin-6-yl)ethanamine (CID 81232115) is 2-ethylsulfanyl-N-methyl-1-(2-methylquinolin-6-yl)ethanamine.
What is the SMILES notation for 2-ethylsulfanyl-N-methyl-1-(2-methylquinolin-6-yl)ethanamine?
The canonical SMILES for 2-ethylsulfanyl-N-methyl-1-(2-methylquinolin-6-yl)ethanamine is CCSCC(NC)c1ccc2nc(C)ccc2c1.
What is the InChIKey of 2-ethylsulfanyl-N-methyl-1-(2-methylquinolin-6-yl)ethanamine?
The InChIKey is LIYKPUKQUZFVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-4-18-10-15(16-3)13-7-8-14-12(9-13)6-5-11(2)17-14/h5-9,15-16H,4,10H2,1-3H3.
What are the key properties of 2-ethylsulfanyl-N-methyl-1-(2-methylquinolin-6-yl)ethanamine?
2-ethylsulfanyl-N-methyl-1-(2-methylquinolin-6-yl)ethanamine has a molecular weight of 260.41 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-methyl-1-(2-methylquinolin-6-yl)ethanamine is sourced from PubChem (CID 81232115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).