N-ethyl-1-(5-ethylsulfanyl-2-pyridinyl)propan-1-amine

C12H20N2S — CID 112584977

IUPACN-ethyl-1-(5-ethylsulfanyl-2-pyridinyl)propan-1-amine
SMILESCCNC(CC)c1ccc(SCC)cn1
InChIInChI=1S/C12H20N2S/c1-4-11(13-5-2)12-8-7-10(9-14-12)15-6-3/h7-9,11,13H,4-6H2,1-3H3
InChIKeyMDIOSIRKFDPMEU-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.25
Rot. Bonds6

About N-ethyl-1-(5-ethylsulfanyl-2-pyridinyl)propan-1-amine

N-ethyl-1-(5-ethylsulfanyl-2-pyridinyl)propan-1-amine (PubChem CID 112584977) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-ethyl-1-(5-ethylsulfanyl-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-ethylsulfanyl-2-pyridinyl)propan-1-amine
PubChem CID112584977
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-ethyl-1-(5-ethylsulfanyl-2-pyridinyl)propan-1-amine
SMILESCCNC(CC)c1ccc(SCC)cn1
InChIInChI=1S/C12H20N2S/c1-4-11(13-5-2)12-8-7-10(9-14-12)15-6-3/h7-9,11,13H,4-6H2,1-3H3
InChIKeyMDIOSIRKFDPMEU-UHFFFAOYSA-N
XLogP3.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(5-pyridin-4-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 112585179
3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]butan-2-ol
CID 107770916
N-ethyl-1-[5-(4-methylsulfanylphenoxy)-2-pyridinyl]propan-1-amine
CID 115940125
1-[5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-pyridinyl]-N-ethylpropan-1-amine
CID 115940305
6-[1-(ethylamino)propyl]-N,N-dimethylpyridin-3-amine
CID 112584103
4-ethyl-3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-one
CID 115940323
4-amino-2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 136985232
N-propyl-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 115940259
N-ethyl-1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine
CID 115940101
1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]-N-methylpropan-1-amine
CID 112585128
6-[1-(ethylamino)propyl]-N-prop-2-enyl-N-propylpyridin-3-amine
CID 112584559
2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-methylamino]propan-1-ol
CID 104552388

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-ethylsulfanyl-2-pyridinyl)propan-1-amine?
The IUPAC name of N-ethyl-1-(5-ethylsulfanyl-2-pyridinyl)propan-1-amine (CID 112584977) is N-ethyl-1-(5-ethylsulfanyl-2-pyridinyl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(5-ethylsulfanyl-2-pyridinyl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(5-ethylsulfanyl-2-pyridinyl)propan-1-amine is CCNC(CC)c1ccc(SCC)cn1.
What is the InChIKey of N-ethyl-1-(5-ethylsulfanyl-2-pyridinyl)propan-1-amine?
The InChIKey is MDIOSIRKFDPMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-4-11(13-5-2)12-8-7-10(9-14-12)15-6-3/h7-9,11,13H,4-6H2,1-3H3.
What are the key properties of N-ethyl-1-(5-ethylsulfanyl-2-pyridinyl)propan-1-amine?
N-ethyl-1-(5-ethylsulfanyl-2-pyridinyl)propan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-ethylsulfanyl-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 112584977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).