1-(2-aminoethyldisulfanyl)-N,N,2-trimethylpropan-2-amine

C8H20N2S2 — CID 21477406

IUPAC1-(2-aminoethyldisulfanyl)-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)CSSCCN
InChIInChI=1S/C8H20N2S2/c1-8(2,10(3)4)7-12-11-6-5-9/h5-7,9H2,1-4H3
InChIKeyLYYGQBSFOVPQRH-UHFFFAOYSA-N
MW208.40 g/mol
LogP1.67
Rot. Bonds6

About 1-(2-aminoethyldisulfanyl)-N,N,2-trimethylpropan-2-amine

1-(2-aminoethyldisulfanyl)-N,N,2-trimethylpropan-2-amine (PubChem CID 21477406) has the molecular formula C8H20N2S2 and a molecular weight of 208.40 g/mol. Its IUPAC name is 1-(2-aminoethyldisulfanyl)-N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-(2-aminoethyldisulfanyl)-N,N,2-trimethylpropan-2-amine
PubChem CID21477406
Molecular FormulaC8H20N2S2
Molecular Weight208.40 g/mol
Exact Mass208.11
IUPAC Name1-(2-aminoethyldisulfanyl)-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)CSSCCN
InChIInChI=1S/C8H20N2S2/c1-8(2,10(3)4)7-12-11-6-5-9/h5-7,9H2,1-4H3
InChIKeyLYYGQBSFOVPQRH-UHFFFAOYSA-N
XLogP1.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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 1-(2-aminoethyldisulfanyl)-N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-(2-aminoethyldisulfanyl)-N,N,2-trimethylpropan-2-amine (CID 21477406) is 1-(2-aminoethyldisulfanyl)-N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-(2-aminoethyldisulfanyl)-N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-(2-aminoethyldisulfanyl)-N,N,2-trimethylpropan-2-amine is CN(C)C(C)(C)CSSCCN.
What is the InChIKey of 1-(2-aminoethyldisulfanyl)-N,N,2-trimethylpropan-2-amine?
The InChIKey is LYYGQBSFOVPQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2S2/c1-8(2,10(3)4)7-12-11-6-5-9/h5-7,9H2,1-4H3.
What are the key properties of 1-(2-aminoethyldisulfanyl)-N,N,2-trimethylpropan-2-amine?
1-(2-aminoethyldisulfanyl)-N,N,2-trimethylpropan-2-amine has a molecular weight of 208.40 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyldisulfanyl)-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 21477406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).