2-(2-hydrazinylethyldisulfanyl)-N-methylethanamine

C5H15N3S2 — CID 88966067

IUPAC2-(2-hydrazinylethyldisulfanyl)-N-methylethanamine
SMILESCNCCSSCCNN
InChIInChI=1S/C5H15N3S2/c1-7-2-4-9-10-5-3-8-6/h7-8H,2-6H2,1H3
InChIKeyNGFJFCCHTQEDFA-UHFFFAOYSA-N
MW181.33 g/mol
LogP0.05
Rot. Bonds7

About 2-(2-hydrazinylethyldisulfanyl)-N-methylethanamine

2-(2-hydrazinylethyldisulfanyl)-N-methylethanamine (PubChem CID 88966067) has the molecular formula C5H15N3S2 and a molecular weight of 181.33 g/mol. Its IUPAC name is 2-(2-hydrazinylethyldisulfanyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-hydrazinylethyldisulfanyl)-N-methylethanamine
PubChem CID88966067
Molecular FormulaC5H15N3S2
Molecular Weight181.33 g/mol
Exact Mass181.07
IUPAC Name2-(2-hydrazinylethyldisulfanyl)-N-methylethanamine
SMILESCNCCSSCCNN
InChIInChI=1S/C5H15N3S2/c1-7-2-4-9-10-5-3-8-6/h7-8H,2-6H2,1H3
InChIKeyNGFJFCCHTQEDFA-UHFFFAOYSA-N
XLogP0.05
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.33
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydrazinylethyldisulfanyl)-N-methylethanamine?
The IUPAC name of 2-(2-hydrazinylethyldisulfanyl)-N-methylethanamine (CID 88966067) is 2-(2-hydrazinylethyldisulfanyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-hydrazinylethyldisulfanyl)-N-methylethanamine?
The canonical SMILES for 2-(2-hydrazinylethyldisulfanyl)-N-methylethanamine is CNCCSSCCNN.
What is the InChIKey of 2-(2-hydrazinylethyldisulfanyl)-N-methylethanamine?
The InChIKey is NGFJFCCHTQEDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3S2/c1-7-2-4-9-10-5-3-8-6/h7-8H,2-6H2,1H3.
What are the key properties of 2-(2-hydrazinylethyldisulfanyl)-N-methylethanamine?
2-(2-hydrazinylethyldisulfanyl)-N-methylethanamine has a molecular weight of 181.33 g/mol, XLogP of 0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydrazinylethyldisulfanyl)-N-methylethanamine is sourced from PubChem (CID 88966067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).