2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]quinolin-4-amine

C15H21N3S — CID 112661176

IUPAC2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]quinolin-4-amine
SMILESCSCC(C)N(C)Cc1cc(N)c2ccccc2n1
InChIInChI=1S/C15H21N3S/c1-11(10-19-3)18(2)9-12-8-14(16)13-6-4-5-7-15(13)17-12/h4-8,11H,9-10H2,1-3H3,(H2,16,17)
InChIKeyJHHKFAMZHXDIOE-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.00
Rot. Bonds5

About 2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]quinolin-4-amine

2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]quinolin-4-amine (PubChem CID 112661176) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]quinolin-4-amine.

Molecular Properties

Compound Name2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]quinolin-4-amine
PubChem CID112661176
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]quinolin-4-amine
SMILESCSCC(C)N(C)Cc1cc(N)c2ccccc2n1
InChIInChI=1S/C15H21N3S/c1-11(10-19-3)18(2)9-12-8-14(16)13-6-4-5-7-15(13)17-12/h4-8,11H,9-10H2,1-3H3,(H2,16,17)
InChIKeyJHHKFAMZHXDIOE-UHFFFAOYSA-N
XLogP3.00
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]quinolin-4-amine?
The IUPAC name of 2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]quinolin-4-amine (CID 112661176) is 2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]quinolin-4-amine.
What is the SMILES notation for 2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]quinolin-4-amine?
The canonical SMILES for 2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]quinolin-4-amine is CSCC(C)N(C)Cc1cc(N)c2ccccc2n1.
What is the InChIKey of 2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]quinolin-4-amine?
The InChIKey is JHHKFAMZHXDIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-11(10-19-3)18(2)9-12-8-14(16)13-6-4-5-7-15(13)17-12/h4-8,11H,9-10H2,1-3H3,(H2,16,17).
What are the key properties of 2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]quinolin-4-amine?
2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]quinolin-4-amine has a molecular weight of 275.42 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]quinolin-4-amine is sourced from PubChem (CID 112661176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).