acetyl(triethyl)azanium

C8H18NO+ — CID 4643501

IUPACacetyl(triethyl)azanium
SMILESCC[N+](CC)(CC)C(C)=O
InChIInChI=1S/C8H18NO/c1-5-9(6-2,7-3)8(4)10/h5-7H2,1-4H3/q+1
InChIKeyPKUCUUCYVBIOMT-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.41
Rot. Bonds3

About acetyl(triethyl)azanium

acetyl(triethyl)azanium (PubChem CID 4643501) has the molecular formula C8H18NO+ and a molecular weight of 144.24 g/mol. Its IUPAC name is acetyl(triethyl)azanium.

Molecular Properties

Compound Nameacetyl(triethyl)azanium
PubChem CID4643501
Molecular FormulaC8H18NO+
Molecular Weight144.24 g/mol
Exact Mass144.14
IUPAC Nameacetyl(triethyl)azanium
SMILESCC[N+](CC)(CC)C(C)=O
InChIInChI=1S/C8H18NO/c1-5-9(6-2,7-3)8(4)10/h5-7H2,1-4H3/q+1
InChIKeyPKUCUUCYVBIOMT-UHFFFAOYSA-N
XLogP1.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.41
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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Related Compounds

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CID 70909
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CID 70690
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CID 19718
CID 19718
CID 70687
CID 70687
CID 202537
CID 202537
CID 13390905
CID 13390905
CID 73808
CID 73808
CID 9699
CID 9699
CID 6454138
CID 6454138

Frequently Asked Questions

What is the IUPAC name of acetyl(triethyl)azanium?
The IUPAC name of acetyl(triethyl)azanium (CID 4643501) is acetyl(triethyl)azanium.
What is the SMILES notation for acetyl(triethyl)azanium?
The canonical SMILES for acetyl(triethyl)azanium is CC[N+](CC)(CC)C(C)=O.
What is the InChIKey of acetyl(triethyl)azanium?
The InChIKey is PKUCUUCYVBIOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO/c1-5-9(6-2,7-3)8(4)10/h5-7H2,1-4H3/q+1.
What are the key properties of acetyl(triethyl)azanium?
acetyl(triethyl)azanium has a molecular weight of 144.24 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl(triethyl)azanium is sourced from PubChem (CID 4643501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).