N-methyl-2-(propyldisulfanyl)ethanamine

C6H15NS2 — CID 21133412

IUPACN-methyl-2-(propyldisulfanyl)ethanamine
SMILESCCCSSCCNC
InChIInChI=1S/C6H15NS2/c1-3-5-8-9-6-4-7-2/h7H,3-6H2,1-2H3
InChIKeyKGCFDDFBJVBORS-UHFFFAOYSA-N
MW165.33 g/mol
LogP2.00
Rot. Bonds6

About N-methyl-2-(propyldisulfanyl)ethanamine

N-methyl-2-(propyldisulfanyl)ethanamine (PubChem CID 21133412) has the molecular formula C6H15NS2 and a molecular weight of 165.33 g/mol. Its IUPAC name is N-methyl-2-(propyldisulfanyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(propyldisulfanyl)ethanamine
PubChem CID21133412
Molecular FormulaC6H15NS2
Molecular Weight165.33 g/mol
Exact Mass165.06
IUPAC NameN-methyl-2-(propyldisulfanyl)ethanamine
SMILESCCCSSCCNC
InChIInChI=1S/C6H15NS2/c1-3-5-8-9-6-4-7-2/h7H,3-6H2,1-2H3
InChIKeyKGCFDDFBJVBORS-UHFFFAOYSA-N
XLogP2.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-methyl-2-(propyldisulfanyl)ethanamine?
The IUPAC name of N-methyl-2-(propyldisulfanyl)ethanamine (CID 21133412) is N-methyl-2-(propyldisulfanyl)ethanamine.
What is the SMILES notation for N-methyl-2-(propyldisulfanyl)ethanamine?
The canonical SMILES for N-methyl-2-(propyldisulfanyl)ethanamine is CCCSSCCNC.
What is the InChIKey of N-methyl-2-(propyldisulfanyl)ethanamine?
The InChIKey is KGCFDDFBJVBORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS2/c1-3-5-8-9-6-4-7-2/h7H,3-6H2,1-2H3.
What are the key properties of N-methyl-2-(propyldisulfanyl)ethanamine?
N-methyl-2-(propyldisulfanyl)ethanamine has a molecular weight of 165.33 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(propyldisulfanyl)ethanamine is sourced from PubChem (CID 21133412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).