N-methyl-5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)pyridin-2-amine

C12H21N3S — CID 112660541

IUPACN-methyl-5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)pyridin-2-amine
SMILESCNC(C)c1ccc(N(C)CCSC)nc1
InChIInChI=1S/C12H21N3S/c1-10(13-2)11-5-6-12(14-9-11)15(3)7-8-16-4/h5-6,9-10,13H,7-8H2,1-4H3
InChIKeyKIQFRSZKYMBYHR-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.16
Rot. Bonds6

About N-methyl-5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)pyridin-2-amine

N-methyl-5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)pyridin-2-amine (PubChem CID 112660541) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-methyl-5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)pyridin-2-amine
PubChem CID112660541
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-methyl-5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)pyridin-2-amine
SMILESCNC(C)c1ccc(N(C)CCSC)nc1
InChIInChI=1S/C12H21N3S/c1-10(13-2)11-5-6-12(14-9-11)15(3)7-8-16-4/h5-6,9-10,13H,7-8H2,1-4H3
InChIKeyKIQFRSZKYMBYHR-UHFFFAOYSA-N
XLogP2.16
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)pyridin-2-amine?
The IUPAC name of N-methyl-5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)pyridin-2-amine (CID 112660541) is N-methyl-5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)pyridin-2-amine is CNC(C)c1ccc(N(C)CCSC)nc1.
What is the InChIKey of N-methyl-5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)pyridin-2-amine?
The InChIKey is KIQFRSZKYMBYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-10(13-2)11-5-6-12(14-9-11)15(3)7-8-16-4/h5-6,9-10,13H,7-8H2,1-4H3.
What are the key properties of N-methyl-5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)pyridin-2-amine?
N-methyl-5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)pyridin-2-amine has a molecular weight of 239.39 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)pyridin-2-amine is sourced from PubChem (CID 112660541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).