1-(2-methylquinolin-6-yl)-3-methylsulfanyl-N-propylpropan-1-amine

C17H24N2S — CID 105172233

IUPAC1-(2-methylquinolin-6-yl)-3-methylsulfanyl-N-propylpropan-1-amine
SMILESCCCNC(CCSC)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C17H24N2S/c1-4-10-18-16(9-11-20-3)14-7-8-17-15(12-14)6-5-13(2)19-17/h5-8,12,16,18H,4,9-11H2,1-3H3
InChIKeyTXARPBUGUPKTTJ-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.34
Rot. Bonds7

About 1-(2-methylquinolin-6-yl)-3-methylsulfanyl-N-propylpropan-1-amine

1-(2-methylquinolin-6-yl)-3-methylsulfanyl-N-propylpropan-1-amine (PubChem CID 105172233) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-(2-methylquinolin-6-yl)-3-methylsulfanyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2-methylquinolin-6-yl)-3-methylsulfanyl-N-propylpropan-1-amine
PubChem CID105172233
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name1-(2-methylquinolin-6-yl)-3-methylsulfanyl-N-propylpropan-1-amine
SMILESCCCNC(CCSC)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C17H24N2S/c1-4-10-18-16(9-11-20-3)14-7-8-17-15(12-14)6-5-13(2)19-17/h5-8,12,16,18H,4,9-11H2,1-3H3
InChIKeyTXARPBUGUPKTTJ-UHFFFAOYSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylquinolin-6-yl)-3-(propylamino)propan-1-ol
CID 105379697
1-(2-methylquinolin-6-yl)-N-propylpropan-1-amine
CID 81220852
N-[1-(2-methylquinolin-6-yl)-2-propylsulfanylethyl]propan-1-amine
CID 81228646
2-(2-methylquinolin-6-yl)-2-(propylamino)ethanol
CID 105379248
3-methyl-1-(2-methylquinolin-6-yl)-N-propylbutan-1-amine
CID 81220093
methyl 3-(2-methylquinolin-6-yl)-3-(propylamino)propanoate
CID 105379694
1-(2-methylquinolin-6-yl)-N-propylhexan-3-amine
CID 81230551
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylsulfanyl-N-propylpropan-1-amine
CID 107291810
2-ethylsulfanyl-N-methyl-1-(2-methylquinolin-6-yl)ethanamine
CID 81232115
N-[(2-methylquinolin-6-yl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 105379123
N-[(2-methylquinolin-6-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 81229898
N,4-dimethyl-1-(2-methylquinolin-6-yl)pentan-1-amine
CID 81231235

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylquinolin-6-yl)-3-methylsulfanyl-N-propylpropan-1-amine?
The IUPAC name of 1-(2-methylquinolin-6-yl)-3-methylsulfanyl-N-propylpropan-1-amine (CID 105172233) is 1-(2-methylquinolin-6-yl)-3-methylsulfanyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2-methylquinolin-6-yl)-3-methylsulfanyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(2-methylquinolin-6-yl)-3-methylsulfanyl-N-propylpropan-1-amine is CCCNC(CCSC)c1ccc2nc(C)ccc2c1.
What is the InChIKey of 1-(2-methylquinolin-6-yl)-3-methylsulfanyl-N-propylpropan-1-amine?
The InChIKey is TXARPBUGUPKTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-4-10-18-16(9-11-20-3)14-7-8-17-15(12-14)6-5-13(2)19-17/h5-8,12,16,18H,4,9-11H2,1-3H3.
What are the key properties of 1-(2-methylquinolin-6-yl)-3-methylsulfanyl-N-propylpropan-1-amine?
1-(2-methylquinolin-6-yl)-3-methylsulfanyl-N-propylpropan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylquinolin-6-yl)-3-methylsulfanyl-N-propylpropan-1-amine is sourced from PubChem (CID 105172233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).