3-[3-(dimethylamino)propyldisulfanyl]propan-1-amine

C8H20N2S2 — CID 90163474

IUPAC3-[3-(dimethylamino)propyldisulfanyl]propan-1-amine
SMILESCN(C)CCCSSCCCN
InChIInChI=1S/C8H20N2S2/c1-10(2)6-4-8-12-11-7-3-5-9/h3-9H2,1-2H3
InChIKeyQFHKPPOBFPLXAY-UHFFFAOYSA-N
MW208.40 g/mol
LogP1.67
Rot. Bonds8

About 3-[3-(dimethylamino)propyldisulfanyl]propan-1-amine

3-[3-(dimethylamino)propyldisulfanyl]propan-1-amine (PubChem CID 90163474) has the molecular formula C8H20N2S2 and a molecular weight of 208.40 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyldisulfanyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyldisulfanyl]propan-1-amine
PubChem CID90163474
Molecular FormulaC8H20N2S2
Molecular Weight208.40 g/mol
Exact Mass208.11
IUPAC Name3-[3-(dimethylamino)propyldisulfanyl]propan-1-amine
SMILESCN(C)CCCSSCCCN
InChIInChI=1S/C8H20N2S2/c1-10(2)6-4-8-12-11-7-3-5-9/h3-9H2,1-2H3
InChIKeyQFHKPPOBFPLXAY-UHFFFAOYSA-N
XLogP1.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.40
LogP ≤ 51.67
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 3-[3-(dimethylamino)propyldisulfanyl]propan-1-amine?
The IUPAC name of 3-[3-(dimethylamino)propyldisulfanyl]propan-1-amine (CID 90163474) is 3-[3-(dimethylamino)propyldisulfanyl]propan-1-amine.
What is the SMILES notation for 3-[3-(dimethylamino)propyldisulfanyl]propan-1-amine?
The canonical SMILES for 3-[3-(dimethylamino)propyldisulfanyl]propan-1-amine is CN(C)CCCSSCCCN.
What is the InChIKey of 3-[3-(dimethylamino)propyldisulfanyl]propan-1-amine?
The InChIKey is QFHKPPOBFPLXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2S2/c1-10(2)6-4-8-12-11-7-3-5-9/h3-9H2,1-2H3.
What are the key properties of 3-[3-(dimethylamino)propyldisulfanyl]propan-1-amine?
3-[3-(dimethylamino)propyldisulfanyl]propan-1-amine has a molecular weight of 208.40 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyldisulfanyl]propan-1-amine is sourced from PubChem (CID 90163474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).