ethyl-formyl-dimethylazanium;methane

C6H16NO+ — CID 161189527

IUPACethyl-formyl-dimethylazanium;methane
SMILESC.CC[N+](C)(C)C=O
InChIInChI=1S/C5H12NO.CH4/c1-4-6(2,3)5-7;/h5H,4H2,1-3H3;1H4/q+1;
InChIKeyMSCAZKNAZHDLDH-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.88
Rot. Bonds2

About ethyl-formyl-dimethylazanium;methane

ethyl-formyl-dimethylazanium;methane (PubChem CID 161189527) has the molecular formula C6H16NO+ and a molecular weight of 118.20 g/mol. Its IUPAC name is ethyl-formyl-dimethylazanium;methane.

Molecular Properties

Compound Nameethyl-formyl-dimethylazanium;methane
PubChem CID161189527
Molecular FormulaC6H16NO+
Molecular Weight118.20 g/mol
Exact Mass118.12
IUPAC Nameethyl-formyl-dimethylazanium;methane
SMILESC.CC[N+](C)(C)C=O
InChIInChI=1S/C5H12NO.CH4/c1-4-6(2,3)5-7;/h5H,4H2,1-3H3;1H4/q+1;
InChIKeyMSCAZKNAZHDLDH-UHFFFAOYSA-N
XLogP0.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 159115270
methanethioic S-acid;tetraethylazanium
CID 175419188
CID 159681930
CID 159681930
ethyl(trimethyl)azanium;dihydrate
CID 174491612
2,2,3,3-tetraethylbutanedial
CID 154181619
(Z)-but-2-enedioic acid;triethyl(methyl)azanium
CID 87389837
trimethyl(1-oxobutan-2-yl)azanium
CID 89178917
formamidomethyl(trimethyl)azanium iodide
CID 12652531
diethyl-methanidyl-methylazanium
CID 123448649

Frequently Asked Questions

What is the IUPAC name of ethyl-formyl-dimethylazanium;methane?
The IUPAC name of ethyl-formyl-dimethylazanium;methane (CID 161189527) is ethyl-formyl-dimethylazanium;methane.
What is the SMILES notation for ethyl-formyl-dimethylazanium;methane?
The canonical SMILES for ethyl-formyl-dimethylazanium;methane is C.CC[N+](C)(C)C=O.
What is the InChIKey of ethyl-formyl-dimethylazanium;methane?
The InChIKey is MSCAZKNAZHDLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO.CH4/c1-4-6(2,3)5-7;/h5H,4H2,1-3H3;1H4/q+1;.
What are the key properties of ethyl-formyl-dimethylazanium;methane?
ethyl-formyl-dimethylazanium;methane has a molecular weight of 118.20 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-formyl-dimethylazanium;methane is sourced from PubChem (CID 161189527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).