acetyl-ethyl-methyl-propylazanium

C8H18NO+ — CID 91149353

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

About acetyl-ethyl-methyl-propylazanium

acetyl-ethyl-methyl-propylazanium (PubChem CID 91149353) has the molecular formula C8H18NO+ and a molecular weight of 144.24 g/mol. Its IUPAC name is acetyl-ethyl-methyl-propylazanium.

Molecular Properties

Compound Nameacetyl-ethyl-methyl-propylazanium
PubChem CID91149353
Molecular FormulaC8H18NO+
Molecular Weight144.24 g/mol
Exact Mass144.14
IUPAC Nameacetyl-ethyl-methyl-propylazanium
SMILESCCC[N+](C)(CC)C(C)=O
InChIInChI=1S/C8H18NO/c1-5-7-9(4,6-2)8(3)10/h5-7H2,1-4H3/q+1
InChIKeyOJHSRRQRDHWQQT-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'}

Analyze acetyl-ethyl-methyl-propylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azanium;tetrapropylazanium;diacetate
CID 161363764
carboxy-ethyl-dimethylazanium
CID 23191690
2-carboxyethyl-ethyl-methyl-propylazanium
CID 159284407
2-methylprop-2-enamide;trimethyl(propyl)azanium;hydroxide
CID 23175266
2-methylprop-2-enamide;trimethyl(propyl)azanium;bromide
CID 172726865
dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium bromide
CID 87673706
dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]-propylazanium
CID 140958393
dibutyl-prop-2-enoyl-propylazanium
CID 87268891
bis(hydroxymethyl)-methyl-propylazanium
CID 174797538
ethyl-dimethyl-(4-oxopentyl)azanium
CID 88869769
acetic acid;didecyl(dimethyl)azanium
CID 87374171
dimethyl-(2-methylbut-2-enoylamino)-propylazanium
CID 173395662

Frequently Asked Questions

What is the IUPAC name of acetyl-ethyl-methyl-propylazanium?
The IUPAC name of acetyl-ethyl-methyl-propylazanium (CID 91149353) is acetyl-ethyl-methyl-propylazanium.
What is the SMILES notation for acetyl-ethyl-methyl-propylazanium?
The canonical SMILES for acetyl-ethyl-methyl-propylazanium is CCC[N+](C)(CC)C(C)=O.
What is the InChIKey of acetyl-ethyl-methyl-propylazanium?
The InChIKey is OJHSRRQRDHWQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO/c1-5-7-9(4,6-2)8(3)10/h5-7H2,1-4H3/q+1.
What are the key properties of acetyl-ethyl-methyl-propylazanium?
acetyl-ethyl-methyl-propylazanium 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-ethyl-methyl-propylazanium is sourced from PubChem (CID 91149353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).