triethyl(formyl)azanium

C7H16NO+ — CID 87535153

IUPACtriethyl(formyl)azanium
SMILESCC[N+](C=O)(CC)CC
InChIInChI=1S/C7H16NO/c1-4-8(5-2,6-3)7-9/h7H,4-6H2,1-3H3/q+1
InChIKeyYFQSKBJMLSEPKH-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.02
Rot. Bonds4

About triethyl(formyl)azanium

triethyl(formyl)azanium (PubChem CID 87535153) has the molecular formula C7H16NO+ and a molecular weight of 130.21 g/mol. Its IUPAC name is triethyl(formyl)azanium.

Molecular Properties

Compound Nametriethyl(formyl)azanium
PubChem CID87535153
Molecular FormulaC7H16NO+
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Nametriethyl(formyl)azanium
SMILESCC[N+](C=O)(CC)CC
InChIInChI=1S/C7H16NO/c1-4-8(5-2,6-3)7-9/h7H,4-6H2,1-3H3/q+1
InChIKeyYFQSKBJMLSEPKH-UHFFFAOYSA-N
XLogP1.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.02
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 triethyl(formyl)azanium?
The IUPAC name of triethyl(formyl)azanium (CID 87535153) is triethyl(formyl)azanium.
What is the SMILES notation for triethyl(formyl)azanium?
The canonical SMILES for triethyl(formyl)azanium is CC[N+](C=O)(CC)CC.
What is the InChIKey of triethyl(formyl)azanium?
The InChIKey is YFQSKBJMLSEPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO/c1-4-8(5-2,6-3)7-9/h7H,4-6H2,1-3H3/q+1.
What are the key properties of triethyl(formyl)azanium?
triethyl(formyl)azanium has a molecular weight of 130.21 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(formyl)azanium is sourced from PubChem (CID 87535153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).