2-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]propan-1-amine

C9H22N2S2 — CID 134557899

IUPAC2-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]propan-1-amine
SMILESCNCCSSCCNCC(C)C
InChIInChI=1S/C9H22N2S2/c1-9(2)8-11-5-7-13-12-6-4-10-3/h9-11H,4-8H2,1-3H3
InChIKeyUDDMRSGBFZMEEF-UHFFFAOYSA-N
MW222.42 g/mol
LogP1.83
Rot. Bonds9

About 2-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]propan-1-amine

2-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]propan-1-amine (PubChem CID 134557899) has the molecular formula C9H22N2S2 and a molecular weight of 222.42 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]propan-1-amine
PubChem CID134557899
Molecular FormulaC9H22N2S2
Molecular Weight222.42 g/mol
Exact Mass222.12
IUPAC Name2-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]propan-1-amine
SMILESCNCCSSCCNCC(C)C
InChIInChI=1S/C9H22N2S2/c1-9(2)8-11-5-7-13-12-6-4-10-3/h9-11H,4-8H2,1-3H3
InChIKeyUDDMRSGBFZMEEF-UHFFFAOYSA-N
XLogP1.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
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 2-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]propan-1-amine (CID 134557899) is 2-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]propan-1-amine is CNCCSSCCNCC(C)C.
What is the InChIKey of 2-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]propan-1-amine?
The InChIKey is UDDMRSGBFZMEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2S2/c1-9(2)8-11-5-7-13-12-6-4-10-3/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]propan-1-amine?
2-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]propan-1-amine has a molecular weight of 222.42 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]propan-1-amine is sourced from PubChem (CID 134557899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).