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

C8H20N2S2 — CID 15739298

IUPACN-ethyl-2-[2-(ethylamino)ethyldisulfanyl]ethanamine
SMILESCCNCCSSCCNCC
InChIInChI=1S/C8H20N2S2/c1-3-9-5-7-11-12-8-6-10-4-2/h9-10H,3-8H2,1-2H3
InChIKeyUGCMYUSCFMBRIE-UHFFFAOYSA-N
MW208.40 g/mol
LogP1.59
Rot. Bonds9

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

N-ethyl-2-[2-(ethylamino)ethyldisulfanyl]ethanamine (PubChem CID 15739298) has the molecular formula C8H20N2S2 and a molecular weight of 208.40 g/mol. Its IUPAC name is N-ethyl-2-[2-(ethylamino)ethyldisulfanyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-(ethylamino)ethyldisulfanyl]ethanamine
PubChem CID15739298
Molecular FormulaC8H20N2S2
Molecular Weight208.40 g/mol
Exact Mass208.11
IUPAC NameN-ethyl-2-[2-(ethylamino)ethyldisulfanyl]ethanamine
SMILESCCNCCSSCCNCC
InChIInChI=1S/C8H20N2S2/c1-3-9-5-7-11-12-8-6-10-4-2/h9-10H,3-8H2,1-2H3
InChIKeyUGCMYUSCFMBRIE-UHFFFAOYSA-N
XLogP1.59
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(ethylamino)ethyldisulfanyl]ethanamine?
The IUPAC name of N-ethyl-2-[2-(ethylamino)ethyldisulfanyl]ethanamine (CID 15739298) is N-ethyl-2-[2-(ethylamino)ethyldisulfanyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[2-(ethylamino)ethyldisulfanyl]ethanamine?
The canonical SMILES for N-ethyl-2-[2-(ethylamino)ethyldisulfanyl]ethanamine is CCNCCSSCCNCC.
What is the InChIKey of N-ethyl-2-[2-(ethylamino)ethyldisulfanyl]ethanamine?
The InChIKey is UGCMYUSCFMBRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2S2/c1-3-9-5-7-11-12-8-6-10-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of N-ethyl-2-[2-(ethylamino)ethyldisulfanyl]ethanamine?
N-ethyl-2-[2-(ethylamino)ethyldisulfanyl]ethanamine has a molecular weight of 208.40 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(ethylamino)ethyldisulfanyl]ethanamine is sourced from PubChem (CID 15739298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).