2-[2-(2-aminoethylsulfanyl)ethoxy]ethanamine

C6H16N2OS — CID 23422830

IUPAC2-[2-(2-aminoethylsulfanyl)ethoxy]ethanamine
SMILESNCCOCCSCCN
InChIInChI=1S/C6H16N2OS/c7-1-3-9-4-6-10-5-2-8/h1-8H2
InChIKeyYBIZKHKEBPKLMC-UHFFFAOYSA-N
MW164.27 g/mol
LogP-0.35
Rot. Bonds7

About 2-[2-(2-aminoethylsulfanyl)ethoxy]ethanamine

2-[2-(2-aminoethylsulfanyl)ethoxy]ethanamine (PubChem CID 23422830) has the molecular formula C6H16N2OS and a molecular weight of 164.27 g/mol. Its IUPAC name is 2-[2-(2-aminoethylsulfanyl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(2-aminoethylsulfanyl)ethoxy]ethanamine
PubChem CID23422830
Molecular FormulaC6H16N2OS
Molecular Weight164.27 g/mol
Exact Mass164.10
IUPAC Name2-[2-(2-aminoethylsulfanyl)ethoxy]ethanamine
SMILESNCCOCCSCCN
InChIInChI=1S/C6H16N2OS/c7-1-3-9-4-6-10-5-2-8/h1-8H2
InChIKeyYBIZKHKEBPKLMC-UHFFFAOYSA-N
XLogP-0.35
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethylsulfanyl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(2-aminoethylsulfanyl)ethoxy]ethanamine (CID 23422830) is 2-[2-(2-aminoethylsulfanyl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(2-aminoethylsulfanyl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(2-aminoethylsulfanyl)ethoxy]ethanamine is NCCOCCSCCN.
What is the InChIKey of 2-[2-(2-aminoethylsulfanyl)ethoxy]ethanamine?
The InChIKey is YBIZKHKEBPKLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2OS/c7-1-3-9-4-6-10-5-2-8/h1-8H2.
What are the key properties of 2-[2-(2-aminoethylsulfanyl)ethoxy]ethanamine?
2-[2-(2-aminoethylsulfanyl)ethoxy]ethanamine has a molecular weight of 164.27 g/mol, XLogP of -0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethylsulfanyl)ethoxy]ethanamine is sourced from PubChem (CID 23422830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).