formaldehyde;tetramethylazanium

C5H14NO+ — CID 57468222

IUPACformaldehyde;tetramethylazanium
SMILESC=O.C[N+](C)(C)C
InChIInChI=1S/C4H12N.CH2O/c1-5(2,3)4;1-2/h1-4H3;1H2/q+1;
InChIKeyPKSDPCIMQUEHFX-UHFFFAOYSA-N
MW104.17 g/mol
LogP0.14
Rot. Bonds

About formaldehyde;tetramethylazanium

formaldehyde;tetramethylazanium (PubChem CID 57468222) has the molecular formula C5H14NO+ and a molecular weight of 104.17 g/mol. Its IUPAC name is formaldehyde;tetramethylazanium.

Molecular Properties

Compound Nameformaldehyde;tetramethylazanium
PubChem CID57468222
Molecular FormulaC5H14NO+
Molecular Weight104.17 g/mol
Exact Mass104.11
IUPAC Nameformaldehyde;tetramethylazanium
SMILESC=O.C[N+](C)(C)C
InChIInChI=1S/C4H12N.CH2O/c1-5(2,3)4;1-2/h1-4H3;1H2/q+1;
InChIKeyPKSDPCIMQUEHFX-UHFFFAOYSA-N
XLogP0.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;tetramethylazanium?
The IUPAC name of formaldehyde;tetramethylazanium (CID 57468222) is formaldehyde;tetramethylazanium.
What is the SMILES notation for formaldehyde;tetramethylazanium?
The canonical SMILES for formaldehyde;tetramethylazanium is C=O.C[N+](C)(C)C.
What is the InChIKey of formaldehyde;tetramethylazanium?
The InChIKey is PKSDPCIMQUEHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N.CH2O/c1-5(2,3)4;1-2/h1-4H3;1H2/q+1;.
What are the key properties of formaldehyde;tetramethylazanium?
formaldehyde;tetramethylazanium has a molecular weight of 104.17 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;tetramethylazanium is sourced from PubChem (CID 57468222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).