N-methyl-1-(2-methylthiolan-2-yl)-2-quinolin-4-ylethanamine

C17H22N2S — CID 105159328

IUPACN-methyl-1-(2-methylthiolan-2-yl)-2-quinolin-4-ylethanamine
SMILESCNC(Cc1ccnc2ccccc12)C1(C)CCCS1
InChIInChI=1S/C17H22N2S/c1-17(9-5-11-20-17)16(18-2)12-13-8-10-19-15-7-4-3-6-14(13)15/h3-4,6-8,10,16,18H,5,9,11-12H2,1-2H3
InChIKeyGLOLDBPVTLFASN-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.65
Rot. Bonds4

About N-methyl-1-(2-methylthiolan-2-yl)-2-quinolin-4-ylethanamine

N-methyl-1-(2-methylthiolan-2-yl)-2-quinolin-4-ylethanamine (PubChem CID 105159328) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-methyl-1-(2-methylthiolan-2-yl)-2-quinolin-4-ylethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylthiolan-2-yl)-2-quinolin-4-ylethanamine
PubChem CID105159328
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-methyl-1-(2-methylthiolan-2-yl)-2-quinolin-4-ylethanamine
SMILESCNC(Cc1ccnc2ccccc12)C1(C)CCCS1
InChIInChI=1S/C17H22N2S/c1-17(9-5-11-20-17)16(18-2)12-13-8-10-19-15-7-4-3-6-14(13)15/h3-4,6-8,10,16,18H,5,9,11-12H2,1-2H3
InChIKeyGLOLDBPVTLFASN-UHFFFAOYSA-N
XLogP3.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
CID 105087640
N-ethyl-1-(1-methylcyclopentyl)-2-quinolin-4-ylethanamine
CID 104997457
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
CID 103052717
2-(2,5-difluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
CID 105105246
N-methyl-1-(2-methylcyclopentyl)-2-quinolin-4-ylethanamine
CID 107189504
N-methyl-2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine
CID 105175075
[1-(2,2-dimethylcyclopentyl)-2-quinolin-4-ylethyl]hydrazine
CID 107194203
N-methyl-1-(oxan-2-yl)-2-quinolin-4-ylethanamine
CID 104997415
2-quinolin-4-yl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104997388
4-ethoxy-N-methyl-1-quinolin-4-ylbutan-2-amine
CID 105159304
4-(2-ethylbutyl)quinoline
CID 143495355
2,3-dimethyl-4-quinolin-4-ylbutan-1-amine
CID 81015009

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylthiolan-2-yl)-2-quinolin-4-ylethanamine?
The IUPAC name of N-methyl-1-(2-methylthiolan-2-yl)-2-quinolin-4-ylethanamine (CID 105159328) is N-methyl-1-(2-methylthiolan-2-yl)-2-quinolin-4-ylethanamine.
What is the SMILES notation for N-methyl-1-(2-methylthiolan-2-yl)-2-quinolin-4-ylethanamine?
The canonical SMILES for N-methyl-1-(2-methylthiolan-2-yl)-2-quinolin-4-ylethanamine is CNC(Cc1ccnc2ccccc12)C1(C)CCCS1.
What is the InChIKey of N-methyl-1-(2-methylthiolan-2-yl)-2-quinolin-4-ylethanamine?
The InChIKey is GLOLDBPVTLFASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-17(9-5-11-20-17)16(18-2)12-13-8-10-19-15-7-4-3-6-14(13)15/h3-4,6-8,10,16,18H,5,9,11-12H2,1-2H3.
What are the key properties of N-methyl-1-(2-methylthiolan-2-yl)-2-quinolin-4-ylethanamine?
N-methyl-1-(2-methylthiolan-2-yl)-2-quinolin-4-ylethanamine has a molecular weight of 286.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylthiolan-2-yl)-2-quinolin-4-ylethanamine is sourced from PubChem (CID 105159328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).