N-methyl-3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]quinolin-2-amine

C17H25N3S — CID 115987340

IUPACN-methyl-3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]quinolin-2-amine
SMILESCCC(CSC)N(C)Cc1cc2ccccc2nc1NC
InChIInChI=1S/C17H25N3S/c1-5-15(12-21-4)20(3)11-14-10-13-8-6-7-9-16(13)19-17(14)18-2/h6-10,15H,5,11-12H2,1-4H3,(H,18,19)
InChIKeyVFOMYCHKUYVDAF-UHFFFAOYSA-N
MW303.48 g/mol
LogP3.85
Rot. Bonds7

About N-methyl-3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]quinolin-2-amine

N-methyl-3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]quinolin-2-amine (PubChem CID 115987340) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is N-methyl-3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]quinolin-2-amine.

Molecular Properties

Compound NameN-methyl-3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]quinolin-2-amine
PubChem CID115987340
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC NameN-methyl-3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]quinolin-2-amine
SMILESCCC(CSC)N(C)Cc1cc2ccccc2nc1NC
InChIInChI=1S/C17H25N3S/c1-5-15(12-21-4)20(3)11-14-10-13-8-6-7-9-16(13)19-17(14)18-2/h6-10,15H,5,11-12H2,1-4H3,(H,18,19)
InChIKeyVFOMYCHKUYVDAF-UHFFFAOYSA-N
XLogP3.85
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 115987394
N-methyl-3-[[methyl(2-methylbutyl)amino]methyl]quinolin-2-amine
CID 62184502
3-[methyl-[[2-(methylamino)quinolin-3-yl]methyl]amino]butanenitrile
CID 63223887
3-[[2-ethoxyethyl(methyl)amino]methyl]-N-methylquinolin-2-amine
CID 81074205
3-[methyl-[[2-(methylamino)quinolin-3-yl]methyl]amino]propanenitrile
CID 62177687
N-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]quinolin-2-amine
CID 62182225
N-[[2-(2-aminoethyl)phenyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112661017
N-methyl-3-(3-methylbutan-2-ylsulfanylmethyl)quinolin-2-amine
CID 107756549
N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-2-methylsulfanylethanamine
CID 112664442
N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 106993912
3-[(2-bromophenyl)sulfanylmethyl]-N-methylquinolin-2-amine
CID 63487095
2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]benzenecarbothioamide
CID 112659849

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]quinolin-2-amine?
The IUPAC name of N-methyl-3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]quinolin-2-amine (CID 115987340) is N-methyl-3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]quinolin-2-amine.
What is the SMILES notation for N-methyl-3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]quinolin-2-amine?
The canonical SMILES for N-methyl-3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]quinolin-2-amine is CCC(CSC)N(C)Cc1cc2ccccc2nc1NC.
What is the InChIKey of N-methyl-3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]quinolin-2-amine?
The InChIKey is VFOMYCHKUYVDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-5-15(12-21-4)20(3)11-14-10-13-8-6-7-9-16(13)19-17(14)18-2/h6-10,15H,5,11-12H2,1-4H3,(H,18,19).
What are the key properties of N-methyl-3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]quinolin-2-amine?
N-methyl-3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]quinolin-2-amine has a molecular weight of 303.48 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]quinolin-2-amine is sourced from PubChem (CID 115987340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).