diethyl-formyl-methylazanium

C6H14NO+ — CID 87535283

IUPACdiethyl-formyl-methylazanium
SMILESCC[N+](C)(C=O)CC
InChIInChI=1S/C6H14NO/c1-4-7(3,5-2)6-8/h6H,4-5H2,1-3H3/q+1
InChIKeyAIZFVMXXXGGVJW-UHFFFAOYSA-N
MW116.18 g/mol
LogP0.63
Rot. Bonds3

About diethyl-formyl-methylazanium

diethyl-formyl-methylazanium (PubChem CID 87535283) has the molecular formula C6H14NO+ and a molecular weight of 116.18 g/mol. Its IUPAC name is diethyl-formyl-methylazanium.

Molecular Properties

Compound Namediethyl-formyl-methylazanium
PubChem CID87535283
Molecular FormulaC6H14NO+
Molecular Weight116.18 g/mol
Exact Mass116.11
IUPAC Namediethyl-formyl-methylazanium
SMILESCC[N+](C)(C=O)CC
InChIInChI=1S/C6H14NO/c1-4-7(3,5-2)6-8/h6H,4-5H2,1-3H3/q+1
InChIKeyAIZFVMXXXGGVJW-UHFFFAOYSA-N
XLogP0.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 50.63
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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Frequently Asked Questions

What is the IUPAC name of diethyl-formyl-methylazanium?
The IUPAC name of diethyl-formyl-methylazanium (CID 87535283) is diethyl-formyl-methylazanium.
What is the SMILES notation for diethyl-formyl-methylazanium?
The canonical SMILES for diethyl-formyl-methylazanium is CC[N+](C)(C=O)CC.
What is the InChIKey of diethyl-formyl-methylazanium?
The InChIKey is AIZFVMXXXGGVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO/c1-4-7(3,5-2)6-8/h6H,4-5H2,1-3H3/q+1.
What are the key properties of diethyl-formyl-methylazanium?
diethyl-formyl-methylazanium has a molecular weight of 116.18 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-formyl-methylazanium is sourced from PubChem (CID 87535283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).