2-[2-[2-(2-aminoethyldisulfanyl)ethyl-methylamino]ethyldisulfanyl]ethanamine

C9H23N3S4 — CID 20813436

IUPAC2-[2-[2-(2-aminoethyldisulfanyl)ethyl-methylamino]ethyldisulfanyl]ethanamine
SMILESCN(CCSSCCN)CCSSCCN
InChIInChI=1S/C9H23N3S4/c1-12(4-8-15-13-6-2-10)5-9-16-14-7-3-11/h2-11H2,1H3
InChIKeyOBFJBSMFXPJWKI-UHFFFAOYSA-N
MW301.57 g/mol
LogP1.60
Rot. Bonds12

About 2-[2-[2-(2-aminoethyldisulfanyl)ethyl-methylamino]ethyldisulfanyl]ethanamine

2-[2-[2-(2-aminoethyldisulfanyl)ethyl-methylamino]ethyldisulfanyl]ethanamine (PubChem CID 20813436) has the molecular formula C9H23N3S4 and a molecular weight of 301.57 g/mol. Its IUPAC name is 2-[2-[2-(2-aminoethyldisulfanyl)ethyl-methylamino]ethyldisulfanyl]ethanamine.

Molecular Properties

Compound Name2-[2-[2-(2-aminoethyldisulfanyl)ethyl-methylamino]ethyldisulfanyl]ethanamine
PubChem CID20813436
Molecular FormulaC9H23N3S4
Molecular Weight301.57 g/mol
Exact Mass301.08
IUPAC Name2-[2-[2-(2-aminoethyldisulfanyl)ethyl-methylamino]ethyldisulfanyl]ethanamine
SMILESCN(CCSSCCN)CCSSCCN
InChIInChI=1S/C9H23N3S4/c1-12(4-8-15-13-6-2-10)5-9-16-14-7-3-11/h2-11H2,1H3
InChIKeyOBFJBSMFXPJWKI-UHFFFAOYSA-N
XLogP1.60
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.57
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[2-(2-aminoethyldisulfanyl)ethyl-methylamino]ethyldisulfanyl]ethanamine?
The IUPAC name of 2-[2-[2-(2-aminoethyldisulfanyl)ethyl-methylamino]ethyldisulfanyl]ethanamine (CID 20813436) is 2-[2-[2-(2-aminoethyldisulfanyl)ethyl-methylamino]ethyldisulfanyl]ethanamine.
What is the SMILES notation for 2-[2-[2-(2-aminoethyldisulfanyl)ethyl-methylamino]ethyldisulfanyl]ethanamine?
The canonical SMILES for 2-[2-[2-(2-aminoethyldisulfanyl)ethyl-methylamino]ethyldisulfanyl]ethanamine is CN(CCSSCCN)CCSSCCN.
What is the InChIKey of 2-[2-[2-(2-aminoethyldisulfanyl)ethyl-methylamino]ethyldisulfanyl]ethanamine?
The InChIKey is OBFJBSMFXPJWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3S4/c1-12(4-8-15-13-6-2-10)5-9-16-14-7-3-11/h2-11H2,1H3.
What are the key properties of 2-[2-[2-(2-aminoethyldisulfanyl)ethyl-methylamino]ethyldisulfanyl]ethanamine?
2-[2-[2-(2-aminoethyldisulfanyl)ethyl-methylamino]ethyldisulfanyl]ethanamine has a molecular weight of 301.57 g/mol, XLogP of 1.60, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-aminoethyldisulfanyl)ethyl-methylamino]ethyldisulfanyl]ethanamine is sourced from PubChem (CID 20813436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).