2-[2-(diaminoamino)ethyldisulfanyl]ethanamine

C4H14N4S2 — CID 90939967

IUPAC2-[2-(diaminoamino)ethyldisulfanyl]ethanamine
SMILESNCCSSCCN(N)N
InChIInChI=1S/C4H14N4S2/c5-1-3-9-10-4-2-8(6)7/h1-7H2
InChIKeyCPXRVEJBBHUZSL-UHFFFAOYSA-N
MW182.32 g/mol
LogP-0.62
Rot. Bonds6

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

2-[2-(diaminoamino)ethyldisulfanyl]ethanamine (PubChem CID 90939967) has the molecular formula C4H14N4S2 and a molecular weight of 182.32 g/mol. Its IUPAC name is 2-[2-(diaminoamino)ethyldisulfanyl]ethanamine.

Molecular Properties

Compound Name2-[2-(diaminoamino)ethyldisulfanyl]ethanamine
PubChem CID90939967
Molecular FormulaC4H14N4S2
Molecular Weight182.32 g/mol
Exact Mass182.07
IUPAC Name2-[2-(diaminoamino)ethyldisulfanyl]ethanamine
SMILESNCCSSCCN(N)N
InChIInChI=1S/C4H14N4S2/c5-1-3-9-10-4-2-8(6)7/h1-7H2
InChIKeyCPXRVEJBBHUZSL-UHFFFAOYSA-N
XLogP-0.62
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.32
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(diaminoamino)ethyldisulfanyl]ethanamine?
The IUPAC name of 2-[2-(diaminoamino)ethyldisulfanyl]ethanamine (CID 90939967) is 2-[2-(diaminoamino)ethyldisulfanyl]ethanamine.
What is the SMILES notation for 2-[2-(diaminoamino)ethyldisulfanyl]ethanamine?
The canonical SMILES for 2-[2-(diaminoamino)ethyldisulfanyl]ethanamine is NCCSSCCN(N)N.
What is the InChIKey of 2-[2-(diaminoamino)ethyldisulfanyl]ethanamine?
The InChIKey is CPXRVEJBBHUZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H14N4S2/c5-1-3-9-10-4-2-8(6)7/h1-7H2.
What are the key properties of 2-[2-(diaminoamino)ethyldisulfanyl]ethanamine?
2-[2-(diaminoamino)ethyldisulfanyl]ethanamine has a molecular weight of 182.32 g/mol, XLogP of -0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diaminoamino)ethyldisulfanyl]ethanamine is sourced from PubChem (CID 90939967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).