dimethyl-bis(prop-2-enyl)azanium;ethylsulfanylethane

C12H26NS+ — CID 174857155

IUPACdimethyl-bis(prop-2-enyl)azanium;ethylsulfanylethane
SMILESC=CC[N+](C)(C)CC=C.CCSCC
InChIInChI=1S/C8H16N.C4H10S/c1-5-7-9(3,4)8-6-2;1-3-5-4-2/h5-6H,1-2,7-8H2,3-4H3;3-4H2,1-2H3/q+1;
InChIKeyILCAPDFKYJBTKC-UHFFFAOYSA-N
MW216.41 g/mol
LogP3.19
Rot. Bonds6

About dimethyl-bis(prop-2-enyl)azanium;ethylsulfanylethane

dimethyl-bis(prop-2-enyl)azanium;ethylsulfanylethane (PubChem CID 174857155) has the molecular formula C12H26NS+ and a molecular weight of 216.41 g/mol. Its IUPAC name is dimethyl-bis(prop-2-enyl)azanium;ethylsulfanylethane.

Molecular Properties

Compound Namedimethyl-bis(prop-2-enyl)azanium;ethylsulfanylethane
PubChem CID174857155
Molecular FormulaC12H26NS+
Molecular Weight216.41 g/mol
Exact Mass216.18
IUPAC Namedimethyl-bis(prop-2-enyl)azanium;ethylsulfanylethane
SMILESC=CC[N+](C)(C)CC=C.CCSCC
InChIInChI=1S/C8H16N.C4H10S/c1-5-7-9(3,4)8-6-2;1-3-5-4-2/h5-6H,1-2,7-8H2,3-4H3;3-4H2,1-2H3/q+1;
InChIKeyILCAPDFKYJBTKC-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.41
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-bis(prop-2-enyl)azanium;ethylsulfanylethane?
The IUPAC name of dimethyl-bis(prop-2-enyl)azanium;ethylsulfanylethane (CID 174857155) is dimethyl-bis(prop-2-enyl)azanium;ethylsulfanylethane.
What is the SMILES notation for dimethyl-bis(prop-2-enyl)azanium;ethylsulfanylethane?
The canonical SMILES for dimethyl-bis(prop-2-enyl)azanium;ethylsulfanylethane is C=CC[N+](C)(C)CC=C.CCSCC.
What is the InChIKey of dimethyl-bis(prop-2-enyl)azanium;ethylsulfanylethane?
The InChIKey is ILCAPDFKYJBTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N.C4H10S/c1-5-7-9(3,4)8-6-2;1-3-5-4-2/h5-6H,1-2,7-8H2,3-4H3;3-4H2,1-2H3/q+1;.
What are the key properties of dimethyl-bis(prop-2-enyl)azanium;ethylsulfanylethane?
dimethyl-bis(prop-2-enyl)azanium;ethylsulfanylethane has a molecular weight of 216.41 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(prop-2-enyl)azanium;ethylsulfanylethane is sourced from PubChem (CID 174857155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).