2-(1-aminopropan-2-yldisulfanyl)propan-1-amine

C6H16N2S2 — CID 517260

IUPAC2-(1-aminopropan-2-yldisulfanyl)propan-1-amine
SMILESCC(CN)SSC(C)CN
InChIInChI=1S/C6H16N2S2/c1-5(3-7)9-10-6(2)4-8/h5-6H,3-4,7-8H2,1-2H3
InChIKeyDRJXRYDPRUIAQD-UHFFFAOYSA-N
MW180.34 g/mol
LogP1.06
Rot. Bonds5

About 2-(1-aminopropan-2-yldisulfanyl)propan-1-amine

2-(1-aminopropan-2-yldisulfanyl)propan-1-amine (PubChem CID 517260) has the molecular formula C6H16N2S2 and a molecular weight of 180.34 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yldisulfanyl)propan-1-amine.

Molecular Properties

Compound Name2-(1-aminopropan-2-yldisulfanyl)propan-1-amine
PubChem CID517260
Molecular FormulaC6H16N2S2
Molecular Weight180.34 g/mol
Exact Mass180.08
IUPAC Name2-(1-aminopropan-2-yldisulfanyl)propan-1-amine
SMILESCC(CN)SSC(C)CN
InChIInChI=1S/C6H16N2S2/c1-5(3-7)9-10-6(2)4-8/h5-6H,3-4,7-8H2,1-2H3
InChIKeyDRJXRYDPRUIAQD-UHFFFAOYSA-N
XLogP1.06
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-yldisulfanyl)propan-1-amine?
The IUPAC name of 2-(1-aminopropan-2-yldisulfanyl)propan-1-amine (CID 517260) is 2-(1-aminopropan-2-yldisulfanyl)propan-1-amine.
What is the SMILES notation for 2-(1-aminopropan-2-yldisulfanyl)propan-1-amine?
The canonical SMILES for 2-(1-aminopropan-2-yldisulfanyl)propan-1-amine is CC(CN)SSC(C)CN.
What is the InChIKey of 2-(1-aminopropan-2-yldisulfanyl)propan-1-amine?
The InChIKey is DRJXRYDPRUIAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2S2/c1-5(3-7)9-10-6(2)4-8/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(1-aminopropan-2-yldisulfanyl)propan-1-amine?
2-(1-aminopropan-2-yldisulfanyl)propan-1-amine has a molecular weight of 180.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-yldisulfanyl)propan-1-amine is sourced from PubChem (CID 517260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).