acetaldehyde;8-[ethyl(nonyl)amino]octanal;methoxymethane

C23H49NO3 — CID 168924423

IUPACacetaldehyde;8-[ethyl(nonyl)amino]octanal;methoxymethane
SMILESCC=O.CCCCCCCCCN(CC)CCCCCCCC=O.COC
InChIInChI=1S/C19H39NO.C2H6O.C2H4O/c1-3-5-6-7-8-11-14-17-20(4-2)18-15-12-9-10-13-16-19-21;1-3-2;1-2-3/h19H,3-18H2,1-2H3;1-2H3;2H,1H3
InChIKeyGFMWXMCQXHRWBL-UHFFFAOYSA-N
MW387.65 g/mol
LogP6.07
Rot. Bonds17

About acetaldehyde;8-[ethyl(nonyl)amino]octanal;methoxymethane

acetaldehyde;8-[ethyl(nonyl)amino]octanal;methoxymethane (PubChem CID 168924423) has the molecular formula C23H49NO3 and a molecular weight of 387.65 g/mol. Its IUPAC name is acetaldehyde;8-[ethyl(nonyl)amino]octanal;methoxymethane.

Molecular Properties

Compound Nameacetaldehyde;8-[ethyl(nonyl)amino]octanal;methoxymethane
PubChem CID168924423
Molecular FormulaC23H49NO3
Molecular Weight387.65 g/mol
Exact Mass387.37
IUPAC Nameacetaldehyde;8-[ethyl(nonyl)amino]octanal;methoxymethane
SMILESCC=O.CCCCCCCCCN(CC)CCCCCCCC=O.COC
InChIInChI=1S/C19H39NO.C2H6O.C2H4O/c1-3-5-6-7-8-11-14-17-20(4-2)18-15-12-9-10-13-16-19-21;1-3-2;1-2-3/h19H,3-18H2,1-2H3;1-2H3;2H,1H3
InChIKeyGFMWXMCQXHRWBL-UHFFFAOYSA-N
XLogP6.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.65
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 162037939
acetaldehyde;dodecanal
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ruthenium;tridecanal
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9-[heptyl(4-hydroxybutyl)amino]nonanal
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N,N-dimethylmethanamine;ethane;octanal
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acetaldehyde;8-[3-hydroxypropyl(octyl)amino]octanal;2-methoxybutane
CID 168924738
decanal;decane
CID 157361056
tetrakis(rhodium);tridecanal
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azane;octadecanal
CID 87079794
decanal;dihydrochloride
CID 87616227
undecanal;hydrate
CID 154984235
(E)-N,N-diethylheptadec-9-en-1-amine
CID 102116407

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;8-[ethyl(nonyl)amino]octanal;methoxymethane?
The IUPAC name of acetaldehyde;8-[ethyl(nonyl)amino]octanal;methoxymethane (CID 168924423) is acetaldehyde;8-[ethyl(nonyl)amino]octanal;methoxymethane.
What is the SMILES notation for acetaldehyde;8-[ethyl(nonyl)amino]octanal;methoxymethane?
The canonical SMILES for acetaldehyde;8-[ethyl(nonyl)amino]octanal;methoxymethane is CC=O.CCCCCCCCCN(CC)CCCCCCCC=O.COC.
What is the InChIKey of acetaldehyde;8-[ethyl(nonyl)amino]octanal;methoxymethane?
The InChIKey is GFMWXMCQXHRWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO.C2H6O.C2H4O/c1-3-5-6-7-8-11-14-17-20(4-2)18-15-12-9-10-13-16-19-21;1-3-2;1-2-3/h19H,3-18H2,1-2H3;1-2H3;2H,1H3.
What are the key properties of acetaldehyde;8-[ethyl(nonyl)amino]octanal;methoxymethane?
acetaldehyde;8-[ethyl(nonyl)amino]octanal;methoxymethane has a molecular weight of 387.65 g/mol, XLogP of 6.07, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;8-[ethyl(nonyl)amino]octanal;methoxymethane is sourced from PubChem (CID 168924423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).