2-[2-(dimethylamino)ethyldisulfanyl]ethanamine

C6H16N2S2 — CID 122674117

IUPAC2-[2-(dimethylamino)ethyldisulfanyl]ethanamine
SMILESCN(C)CCSSCCN
InChIInChI=1S/C6H16N2S2/c1-8(2)4-6-10-9-5-3-7/h3-7H2,1-2H3
InChIKeyFUVIZKAFGJZIAB-UHFFFAOYSA-N
MW180.34 g/mol
LogP0.89
Rot. Bonds6

About 2-[2-(dimethylamino)ethyldisulfanyl]ethanamine

2-[2-(dimethylamino)ethyldisulfanyl]ethanamine (PubChem CID 122674117) has the molecular formula C6H16N2S2 and a molecular weight of 180.34 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyldisulfanyl]ethanamine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyldisulfanyl]ethanamine
PubChem CID122674117
Molecular FormulaC6H16N2S2
Molecular Weight180.34 g/mol
Exact Mass180.08
IUPAC Name2-[2-(dimethylamino)ethyldisulfanyl]ethanamine
SMILESCN(C)CCSSCCN
InChIInChI=1S/C6H16N2S2/c1-8(2)4-6-10-9-5-3-7/h3-7H2,1-2H3
InChIKeyFUVIZKAFGJZIAB-UHFFFAOYSA-N
XLogP0.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 50.89
H-Bond Donors ≤ 51
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 2-[2-(dimethylamino)ethyldisulfanyl]ethanamine?
The IUPAC name of 2-[2-(dimethylamino)ethyldisulfanyl]ethanamine (CID 122674117) is 2-[2-(dimethylamino)ethyldisulfanyl]ethanamine.
What is the SMILES notation for 2-[2-(dimethylamino)ethyldisulfanyl]ethanamine?
The canonical SMILES for 2-[2-(dimethylamino)ethyldisulfanyl]ethanamine is CN(C)CCSSCCN.
What is the InChIKey of 2-[2-(dimethylamino)ethyldisulfanyl]ethanamine?
The InChIKey is FUVIZKAFGJZIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2S2/c1-8(2)4-6-10-9-5-3-7/h3-7H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethyldisulfanyl]ethanamine?
2-[2-(dimethylamino)ethyldisulfanyl]ethanamine has a molecular weight of 180.34 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyldisulfanyl]ethanamine is sourced from PubChem (CID 122674117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).