3-[1-(ethylamino)-2-ethylsulfanylethyl]-4-methylpyridin-2-amine

C12H21N3S — CID 65128214

IUPAC3-[1-(ethylamino)-2-ethylsulfanylethyl]-4-methylpyridin-2-amine
SMILESCCNC(CSCC)c1c(C)ccnc1N
InChIInChI=1S/C12H21N3S/c1-4-14-10(8-16-5-2)11-9(3)6-7-15-12(11)13/h6-7,10,14H,4-5,8H2,1-3H3,(H2,13,15)
InChIKeyVZHRXECSZBWKFE-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.38
Rot. Bonds6

About 3-[1-(ethylamino)-2-ethylsulfanylethyl]-4-methylpyridin-2-amine

3-[1-(ethylamino)-2-ethylsulfanylethyl]-4-methylpyridin-2-amine (PubChem CID 65128214) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 3-[1-(ethylamino)-2-ethylsulfanylethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[1-(ethylamino)-2-ethylsulfanylethyl]-4-methylpyridin-2-amine
PubChem CID65128214
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name3-[1-(ethylamino)-2-ethylsulfanylethyl]-4-methylpyridin-2-amine
SMILESCCNC(CSCC)c1c(C)ccnc1N
InChIInChI=1S/C12H21N3S/c1-4-14-10(8-16-5-2)11-9(3)6-7-15-12(11)13/h6-7,10,14H,4-5,8H2,1-3H3,(H2,13,15)
InChIKeyVZHRXECSZBWKFE-UHFFFAOYSA-N
XLogP2.38
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-amino-2-ethylsulfanylethyl)-4-methylpyridin-2-amine
CID 65128071
3-[1-(ethylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-4-methylpyridin-2-amine
CID 103474599
1-(2-amino-4-methyl-3-pyridinyl)-N,N',N'-triethylpropane-1,3-diamine
CID 79087148
3-[(2,6-dimethyl-4-pyridinyl)-(ethylamino)methyl]-4-methylpyridin-2-amine
CID 107503949
3-[1-hydrazinyl-2-(4-methylphenyl)sulfanylethyl]-4-methylpyridin-2-amine
CID 105237021
4-methyl-3-[1-(methylamino)-2-(2-methylphenyl)sulfanylethyl]pyridin-2-amine
CID 66098635
3-[2,2-dimethoxy-1-(propylamino)ethyl]-4-methylpyridin-2-amine
CID 79493587
3-[2-ethyl-2-methoxy-1-(methylamino)butyl]-4-methylpyridin-2-amine
CID 116760734
3-[2-(4-fluorophenyl)sulfanyl-1-(methylamino)ethyl]-4-methylpyridin-2-amine
CID 66071805
1-(2,6-dimethoxyphenyl)-N-ethyl-2-ethylsulfanylethanamine
CID 116810456
3-[2-methoxy-1-(propylamino)propyl]-4-methylpyridin-2-amine
CID 79615875
N-ethyl-2-ethylsulfanyl-1-phenylethanamine
CID 64613608

Frequently Asked Questions

What is the IUPAC name of 3-[1-(ethylamino)-2-ethylsulfanylethyl]-4-methylpyridin-2-amine?
The IUPAC name of 3-[1-(ethylamino)-2-ethylsulfanylethyl]-4-methylpyridin-2-amine (CID 65128214) is 3-[1-(ethylamino)-2-ethylsulfanylethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 3-[1-(ethylamino)-2-ethylsulfanylethyl]-4-methylpyridin-2-amine?
The canonical SMILES for 3-[1-(ethylamino)-2-ethylsulfanylethyl]-4-methylpyridin-2-amine is CCNC(CSCC)c1c(C)ccnc1N.
What is the InChIKey of 3-[1-(ethylamino)-2-ethylsulfanylethyl]-4-methylpyridin-2-amine?
The InChIKey is VZHRXECSZBWKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-4-14-10(8-16-5-2)11-9(3)6-7-15-12(11)13/h6-7,10,14H,4-5,8H2,1-3H3,(H2,13,15).
What are the key properties of 3-[1-(ethylamino)-2-ethylsulfanylethyl]-4-methylpyridin-2-amine?
3-[1-(ethylamino)-2-ethylsulfanylethyl]-4-methylpyridin-2-amine has a molecular weight of 239.39 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(ethylamino)-2-ethylsulfanylethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 65128214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).