2-cyclohexylsulfanyl-N-methyl-1-quinolin-7-ylethanamine

C18H24N2S — CID 81228669

IUPAC2-cyclohexylsulfanyl-N-methyl-1-quinolin-7-ylethanamine
SMILESCNC(CSC1CCCCC1)c1ccc2cccnc2c1
InChIInChI=1S/C18H24N2S/c1-19-18(13-21-16-7-3-2-4-8-16)15-10-9-14-6-5-11-20-17(14)12-15/h5-6,9-12,16,18-19H,2-4,7-8,13H2,1H3
InChIKeyIDXGEUMXHMZPEJ-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.56
Rot. Bonds5

About 2-cyclohexylsulfanyl-N-methyl-1-quinolin-7-ylethanamine

2-cyclohexylsulfanyl-N-methyl-1-quinolin-7-ylethanamine (PubChem CID 81228669) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-N-methyl-1-quinolin-7-ylethanamine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-N-methyl-1-quinolin-7-ylethanamine
PubChem CID81228669
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name2-cyclohexylsulfanyl-N-methyl-1-quinolin-7-ylethanamine
SMILESCNC(CSC1CCCCC1)c1ccc2cccnc2c1
InChIInChI=1S/C18H24N2S/c1-19-18(13-21-16-7-3-2-4-8-16)15-10-9-14-6-5-11-20-17(14)12-15/h5-6,9-12,16,18-19H,2-4,7-8,13H2,1H3
InChIKeyIDXGEUMXHMZPEJ-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-N-methyl-1-quinolin-7-ylethanamine?
The IUPAC name of 2-cyclohexylsulfanyl-N-methyl-1-quinolin-7-ylethanamine (CID 81228669) is 2-cyclohexylsulfanyl-N-methyl-1-quinolin-7-ylethanamine.
What is the SMILES notation for 2-cyclohexylsulfanyl-N-methyl-1-quinolin-7-ylethanamine?
The canonical SMILES for 2-cyclohexylsulfanyl-N-methyl-1-quinolin-7-ylethanamine is CNC(CSC1CCCCC1)c1ccc2cccnc2c1.
What is the InChIKey of 2-cyclohexylsulfanyl-N-methyl-1-quinolin-7-ylethanamine?
The InChIKey is IDXGEUMXHMZPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-19-18(13-21-16-7-3-2-4-8-16)15-10-9-14-6-5-11-20-17(14)12-15/h5-6,9-12,16,18-19H,2-4,7-8,13H2,1H3.
What are the key properties of 2-cyclohexylsulfanyl-N-methyl-1-quinolin-7-ylethanamine?
2-cyclohexylsulfanyl-N-methyl-1-quinolin-7-ylethanamine has a molecular weight of 300.47 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-N-methyl-1-quinolin-7-ylethanamine is sourced from PubChem (CID 81228669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).