2-[2-(diethylamino)ethylsulfanyl]-6-methylpyridin-3-amine

C12H21N3S — CID 81138010

IUPAC2-[2-(diethylamino)ethylsulfanyl]-6-methylpyridin-3-amine
SMILESCCN(CC)CCSc1nc(C)ccc1N
InChIInChI=1S/C12H21N3S/c1-4-15(5-2)8-9-16-12-11(13)7-6-10(3)14-12/h6-7H,4-5,8-9,13H2,1-3H3
InChIKeyJIYUEKJDHWAWQD-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.41
Rot. Bonds6

About 2-[2-(diethylamino)ethylsulfanyl]-6-methylpyridin-3-amine

2-[2-(diethylamino)ethylsulfanyl]-6-methylpyridin-3-amine (PubChem CID 81138010) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylsulfanyl]-6-methylpyridin-3-amine.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylsulfanyl]-6-methylpyridin-3-amine
PubChem CID81138010
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-[2-(diethylamino)ethylsulfanyl]-6-methylpyridin-3-amine
SMILESCCN(CC)CCSc1nc(C)ccc1N
InChIInChI=1S/C12H21N3S/c1-4-15(5-2)8-9-16-12-11(13)7-6-10(3)14-12/h6-7H,4-5,8-9,13H2,1-3H3
InChIKeyJIYUEKJDHWAWQD-UHFFFAOYSA-N
XLogP2.41
TPSA42.15 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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylsulfanyl]-6-methylpyridin-3-amine?
The IUPAC name of 2-[2-(diethylamino)ethylsulfanyl]-6-methylpyridin-3-amine (CID 81138010) is 2-[2-(diethylamino)ethylsulfanyl]-6-methylpyridin-3-amine.
What is the SMILES notation for 2-[2-(diethylamino)ethylsulfanyl]-6-methylpyridin-3-amine?
The canonical SMILES for 2-[2-(diethylamino)ethylsulfanyl]-6-methylpyridin-3-amine is CCN(CC)CCSc1nc(C)ccc1N.
What is the InChIKey of 2-[2-(diethylamino)ethylsulfanyl]-6-methylpyridin-3-amine?
The InChIKey is JIYUEKJDHWAWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-4-15(5-2)8-9-16-12-11(13)7-6-10(3)14-12/h6-7H,4-5,8-9,13H2,1-3H3.
What are the key properties of 2-[2-(diethylamino)ethylsulfanyl]-6-methylpyridin-3-amine?
2-[2-(diethylamino)ethylsulfanyl]-6-methylpyridin-3-amine has a molecular weight of 239.39 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylsulfanyl]-6-methylpyridin-3-amine is sourced from PubChem (CID 81138010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).