acetaldehyde;ethane;N-methyl-2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;propanal

C23H53NO7S — CID 142541837

IUPACacetaldehyde;ethane;N-methyl-2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;propanal
SMILESCC.CC.CC=O.CCC=O.CNCCOCCOCCOCCOCCOCCSC
InChIInChI=1S/C14H31NO5S.C3H6O.C2H4O.2C2H6/c1-15-3-4-16-5-6-17-7-8-18-9-10-19-11-12-20-13-14-21-2;1-2-3-4;1-2-3;2*1-2/h15H,3-14H2,1-2H3;3H,2H2,1H3;2H,1H3;2*1-2H3
InChIKeyFWGXDFYBDUEJGV-UHFFFAOYSA-N
MW487.74 g/mol
LogP3.50
Rot. Bonds19

About acetaldehyde;ethane;N-methyl-2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;propanal

acetaldehyde;ethane;N-methyl-2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;propanal (PubChem CID 142541837) has the molecular formula C23H53NO7S and a molecular weight of 487.74 g/mol. Its IUPAC name is acetaldehyde;ethane;N-methyl-2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;propanal.

Molecular Properties

Compound Nameacetaldehyde;ethane;N-methyl-2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;propanal
PubChem CID142541837
Molecular FormulaC23H53NO7S
Molecular Weight487.74 g/mol
Exact Mass487.35
IUPAC Nameacetaldehyde;ethane;N-methyl-2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;propanal
SMILESCC.CC.CC=O.CCC=O.CNCCOCCOCCOCCOCCOCCSC
InChIInChI=1S/C14H31NO5S.C3H6O.C2H4O.2C2H6/c1-15-3-4-16-5-6-17-7-8-18-9-10-19-11-12-20-13-14-21-2;1-2-3-4;1-2-3;2*1-2/h15H,3-14H2,1-2H3;3H,2H2,1H3;2H,1H3;2*1-2H3
InChIKeyFWGXDFYBDUEJGV-UHFFFAOYSA-N
XLogP3.50
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.74
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;ethane;N-methyl-2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;propanal?
The IUPAC name of acetaldehyde;ethane;N-methyl-2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;propanal (CID 142541837) is acetaldehyde;ethane;N-methyl-2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;propanal.
What is the SMILES notation for acetaldehyde;ethane;N-methyl-2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;propanal?
The canonical SMILES for acetaldehyde;ethane;N-methyl-2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;propanal is CC.CC.CC=O.CCC=O.CNCCOCCOCCOCCOCCOCCSC.
What is the InChIKey of acetaldehyde;ethane;N-methyl-2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;propanal?
The InChIKey is FWGXDFYBDUEJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO5S.C3H6O.C2H4O.2C2H6/c1-15-3-4-16-5-6-17-7-8-18-9-10-19-11-12-20-13-14-21-2;1-2-3-4;1-2-3;2*1-2/h15H,3-14H2,1-2H3;3H,2H2,1H3;2H,1H3;2*1-2H3.
What are the key properties of acetaldehyde;ethane;N-methyl-2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;propanal?
acetaldehyde;ethane;N-methyl-2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;propanal has a molecular weight of 487.74 g/mol, XLogP of 3.50, 19 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethane;N-methyl-2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;propanal is sourced from PubChem (CID 142541837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).