3-[[methyl(2-methylsulfanylethyl)amino]methyl]quinolin-2-amine

C14H19N3S — CID 112664241

IUPAC3-[[methyl(2-methylsulfanylethyl)amino]methyl]quinolin-2-amine
SMILESCSCCN(C)Cc1cc2ccccc2nc1N
InChIInChI=1S/C14H19N3S/c1-17(7-8-18-2)10-12-9-11-5-3-4-6-13(11)16-14(12)15/h3-6,9H,7-8,10H2,1-2H3,(H2,15,16)
InChIKeyWJFHXTDSWNOVBV-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.61
Rot. Bonds5

About 3-[[methyl(2-methylsulfanylethyl)amino]methyl]quinolin-2-amine

3-[[methyl(2-methylsulfanylethyl)amino]methyl]quinolin-2-amine (PubChem CID 112664241) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-[[methyl(2-methylsulfanylethyl)amino]methyl]quinolin-2-amine.

Molecular Properties

Compound Name3-[[methyl(2-methylsulfanylethyl)amino]methyl]quinolin-2-amine
PubChem CID112664241
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name3-[[methyl(2-methylsulfanylethyl)amino]methyl]quinolin-2-amine
SMILESCSCCN(C)Cc1cc2ccccc2nc1N
InChIInChI=1S/C14H19N3S/c1-17(7-8-18-2)10-12-9-11-5-3-4-6-13(11)16-14(12)15/h3-6,9H,7-8,10H2,1-2H3,(H2,15,16)
InChIKeyWJFHXTDSWNOVBV-UHFFFAOYSA-N
XLogP2.61
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Quipazine
CID 5011
2-Aminoquinoline
CID 11379
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
4-Methyl-2-(1-piperidinyl)quinoline
CID 230710
2-Aminoquinoline-3-carbonitrile
CID 268505
N-Methylquipazine
CID 5013
2-(4-Propyl-piperazin-1-yl)-quinoline
CID 11370427
4-Methylquinolin-2-amine
CID 231935
6-Aminophenanthridine
CID 160547
N,N-dimethylquinolin-2-amine
CID 588801
2-[4-(1-Ethyl-propyl)-piperazin-1-yl]-quinoline
CID 11314275
2-(4-Isopropyl-piperazin-1-yl)-quinoline
CID 11393294

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(2-methylsulfanylethyl)amino]methyl]quinolin-2-amine?
The IUPAC name of 3-[[methyl(2-methylsulfanylethyl)amino]methyl]quinolin-2-amine (CID 112664241) is 3-[[methyl(2-methylsulfanylethyl)amino]methyl]quinolin-2-amine.
What is the SMILES notation for 3-[[methyl(2-methylsulfanylethyl)amino]methyl]quinolin-2-amine?
The canonical SMILES for 3-[[methyl(2-methylsulfanylethyl)amino]methyl]quinolin-2-amine is CSCCN(C)Cc1cc2ccccc2nc1N.
What is the InChIKey of 3-[[methyl(2-methylsulfanylethyl)amino]methyl]quinolin-2-amine?
The InChIKey is WJFHXTDSWNOVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-17(7-8-18-2)10-12-9-11-5-3-4-6-13(11)16-14(12)15/h3-6,9H,7-8,10H2,1-2H3,(H2,15,16).
What are the key properties of 3-[[methyl(2-methylsulfanylethyl)amino]methyl]quinolin-2-amine?
3-[[methyl(2-methylsulfanylethyl)amino]methyl]quinolin-2-amine has a molecular weight of 261.39 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(2-methylsulfanylethyl)amino]methyl]quinolin-2-amine is sourced from PubChem (CID 112664241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).