N-methyl-3-(3-methylbutan-2-ylsulfanylmethyl)quinolin-2-amine

C16H22N2S — CID 107756549

IUPACN-methyl-3-(3-methylbutan-2-ylsulfanylmethyl)quinolin-2-amine
SMILESCNc1nc2ccccc2cc1CSC(C)C(C)C
InChIInChI=1S/C16H22N2S/c1-11(2)12(3)19-10-14-9-13-7-5-6-8-15(13)18-16(14)17-4/h5-9,11-12H,10H2,1-4H3,(H,17,18)
InChIKeyFFYRQEJLTMMXIE-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.55
Rot. Bonds5

About N-methyl-3-(3-methylbutan-2-ylsulfanylmethyl)quinolin-2-amine

N-methyl-3-(3-methylbutan-2-ylsulfanylmethyl)quinolin-2-amine (PubChem CID 107756549) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-methyl-3-(3-methylbutan-2-ylsulfanylmethyl)quinolin-2-amine.

Molecular Properties

Compound NameN-methyl-3-(3-methylbutan-2-ylsulfanylmethyl)quinolin-2-amine
PubChem CID107756549
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-methyl-3-(3-methylbutan-2-ylsulfanylmethyl)quinolin-2-amine
SMILESCNc1nc2ccccc2cc1CSC(C)C(C)C
InChIInChI=1S/C16H22N2S/c1-11(2)12(3)19-10-14-9-13-7-5-6-8-15(13)18-16(14)17-4/h5-9,11-12H,10H2,1-4H3,(H,17,18)
InChIKeyFFYRQEJLTMMXIE-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methylbutan-2-ylsulfanylmethyl)quinolin-2-amine?
The IUPAC name of N-methyl-3-(3-methylbutan-2-ylsulfanylmethyl)quinolin-2-amine (CID 107756549) is N-methyl-3-(3-methylbutan-2-ylsulfanylmethyl)quinolin-2-amine.
What is the SMILES notation for N-methyl-3-(3-methylbutan-2-ylsulfanylmethyl)quinolin-2-amine?
The canonical SMILES for N-methyl-3-(3-methylbutan-2-ylsulfanylmethyl)quinolin-2-amine is CNc1nc2ccccc2cc1CSC(C)C(C)C.
What is the InChIKey of N-methyl-3-(3-methylbutan-2-ylsulfanylmethyl)quinolin-2-amine?
The InChIKey is FFYRQEJLTMMXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-11(2)12(3)19-10-14-9-13-7-5-6-8-15(13)18-16(14)17-4/h5-9,11-12H,10H2,1-4H3,(H,17,18).
What are the key properties of N-methyl-3-(3-methylbutan-2-ylsulfanylmethyl)quinolin-2-amine?
N-methyl-3-(3-methylbutan-2-ylsulfanylmethyl)quinolin-2-amine has a molecular weight of 274.43 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methylbutan-2-ylsulfanylmethyl)quinolin-2-amine is sourced from PubChem (CID 107756549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).