N-ethyl-2-ethylsulfanyl-1-quinolin-3-ylethanamine

C15H20N2S — CID 65127903

IUPACN-ethyl-2-ethylsulfanyl-1-quinolin-3-ylethanamine
SMILESCCNC(CSCC)c1cnc2ccccc2c1
InChIInChI=1S/C15H20N2S/c1-3-16-15(11-18-4-2)13-9-12-7-5-6-8-14(12)17-10-13/h5-10,15-16H,3-4,11H2,1-2H3
InChIKeyQTMOJFRQCLKIGA-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.64
Rot. Bonds6

About N-ethyl-2-ethylsulfanyl-1-quinolin-3-ylethanamine

N-ethyl-2-ethylsulfanyl-1-quinolin-3-ylethanamine (PubChem CID 65127903) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-ethyl-2-ethylsulfanyl-1-quinolin-3-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-ethylsulfanyl-1-quinolin-3-ylethanamine
PubChem CID65127903
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-ethyl-2-ethylsulfanyl-1-quinolin-3-ylethanamine
SMILESCCNC(CSCC)c1cnc2ccccc2c1
InChIInChI=1S/C15H20N2S/c1-3-16-15(11-18-4-2)13-9-12-7-5-6-8-14(12)17-10-13/h5-10,15-16H,3-4,11H2,1-2H3
InChIKeyQTMOJFRQCLKIGA-UHFFFAOYSA-N
XLogP3.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-ethylsulfanyl-1-quinolin-3-ylethanamine?
The IUPAC name of N-ethyl-2-ethylsulfanyl-1-quinolin-3-ylethanamine (CID 65127903) is N-ethyl-2-ethylsulfanyl-1-quinolin-3-ylethanamine.
What is the SMILES notation for N-ethyl-2-ethylsulfanyl-1-quinolin-3-ylethanamine?
The canonical SMILES for N-ethyl-2-ethylsulfanyl-1-quinolin-3-ylethanamine is CCNC(CSCC)c1cnc2ccccc2c1.
What is the InChIKey of N-ethyl-2-ethylsulfanyl-1-quinolin-3-ylethanamine?
The InChIKey is QTMOJFRQCLKIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-3-16-15(11-18-4-2)13-9-12-7-5-6-8-14(12)17-10-13/h5-10,15-16H,3-4,11H2,1-2H3.
What are the key properties of N-ethyl-2-ethylsulfanyl-1-quinolin-3-ylethanamine?
N-ethyl-2-ethylsulfanyl-1-quinolin-3-ylethanamine has a molecular weight of 260.41 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-ethylsulfanyl-1-quinolin-3-ylethanamine is sourced from PubChem (CID 65127903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).