N-ethyl-2-[2-(ethylamino)ethylsulfanyl]ethanamine

C8H20N2S — CID 24837618

IUPACN-ethyl-2-[2-(ethylamino)ethylsulfanyl]ethanamine
SMILESCCNCCSCCNCC
InChIInChI=1S/C8H20N2S/c1-3-9-5-7-11-8-6-10-4-2/h9-10H,3-8H2,1-2H3
InChIKeyIFIVFFGOLKTFFX-UHFFFAOYSA-N
MW176.33 g/mol
LogP0.94
Rot. Bonds8

About N-ethyl-2-[2-(ethylamino)ethylsulfanyl]ethanamine

N-ethyl-2-[2-(ethylamino)ethylsulfanyl]ethanamine (PubChem CID 24837618) has the molecular formula C8H20N2S and a molecular weight of 176.33 g/mol. Its IUPAC name is N-ethyl-2-[2-(ethylamino)ethylsulfanyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-(ethylamino)ethylsulfanyl]ethanamine
PubChem CID24837618
Molecular FormulaC8H20N2S
Molecular Weight176.33 g/mol
Exact Mass176.13
IUPAC NameN-ethyl-2-[2-(ethylamino)ethylsulfanyl]ethanamine
SMILESCCNCCSCCNCC
InChIInChI=1S/C8H20N2S/c1-3-9-5-7-11-8-6-10-4-2/h9-10H,3-8H2,1-2H3
InChIKeyIFIVFFGOLKTFFX-UHFFFAOYSA-N
XLogP0.94
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.33
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-[3-[3-(2-ethylsulfanylethylamino)propylamino]propyl]propane-1,3-diamine
CID 16047888
1,4,10,13-Tetrathia-7,16-diazacyclooctadecane
CID 560494
Di(isopropylaminoethyl)sulfide
CID 469936
N'-(2-propan-2-ylsulfanylethyl)propane-1,3-diamine;dihydrochloride
CID 45261813
N'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 45261849
1-Thia-4,7,10,13-tetraazacyclopentadecane
CID 12342767
1,2-Ethanediamine, N-[2-(methylthio)ethyl]-
CID 11228829
1,5-Diaza-8-thia-nonane
CID 11252097
7-Thia-1,4-diazanonane
CID 11298051
3,9-Dithia-6-azaundecane
CID 11830297
Bis(2-((2-(ethylthio)ethyl)thio)ethyl)amine
CID 11833983
1,7-Dithia-4,10-diazacyclododecane
CID 13157833

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(ethylamino)ethylsulfanyl]ethanamine?
The IUPAC name of N-ethyl-2-[2-(ethylamino)ethylsulfanyl]ethanamine (CID 24837618) is N-ethyl-2-[2-(ethylamino)ethylsulfanyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[2-(ethylamino)ethylsulfanyl]ethanamine?
The canonical SMILES for N-ethyl-2-[2-(ethylamino)ethylsulfanyl]ethanamine is CCNCCSCCNCC.
What is the InChIKey of N-ethyl-2-[2-(ethylamino)ethylsulfanyl]ethanamine?
The InChIKey is IFIVFFGOLKTFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2S/c1-3-9-5-7-11-8-6-10-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of N-ethyl-2-[2-(ethylamino)ethylsulfanyl]ethanamine?
N-ethyl-2-[2-(ethylamino)ethylsulfanyl]ethanamine has a molecular weight of 176.33 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(ethylamino)ethylsulfanyl]ethanamine is sourced from PubChem (CID 24837618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).