triethyl-(2-naphthalen-2-yl-2-oxoethyl)azanium

C18H24NO+ — CID 130452133

IUPACtriethyl-(2-naphthalen-2-yl-2-oxoethyl)azanium
SMILESCC[N+](CC)(CC)CC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H24NO/c1-4-19(5-2,6-3)14-18(20)17-12-11-15-9-7-8-10-16(15)13-17/h7-13H,4-6,14H2,1-3H3/q+1
InChIKeyBHTALCCPAHATMI-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.90
Rot. Bonds6

About triethyl-(2-naphthalen-2-yl-2-oxoethyl)azanium

triethyl-(2-naphthalen-2-yl-2-oxoethyl)azanium (PubChem CID 130452133) has the molecular formula C18H24NO+ and a molecular weight of 270.40 g/mol. Its IUPAC name is triethyl-(2-naphthalen-2-yl-2-oxoethyl)azanium.

Molecular Properties

Compound Nametriethyl-(2-naphthalen-2-yl-2-oxoethyl)azanium
PubChem CID130452133
Molecular FormulaC18H24NO+
Molecular Weight270.40 g/mol
Exact Mass270.19
IUPAC Nametriethyl-(2-naphthalen-2-yl-2-oxoethyl)azanium
SMILESCC[N+](CC)(CC)CC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H24NO/c1-4-19(5-2,6-3)14-18(20)17-12-11-15-9-7-8-10-16(15)13-17/h7-13H,4-6,14H2,1-3H3/q+1
InChIKeyBHTALCCPAHATMI-UHFFFAOYSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze triethyl-(2-naphthalen-2-yl-2-oxoethyl)azanium 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

1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
triethyl-[2-oxo-2-[4-[4-[2-(triethylazaniumyl)acetyl]phenyl]phenyl]ethyl]azanium
CID 90476113
2-tert-butylsulfanyl-1-naphthalen-2-ylethanone
CID 60645601
ethane;naphthalene-2-carboxylic acid;propane
CID 143443534
3-ethylimino-1-naphthalen-2-ylpropan-1-one
CID 91601607
2-(3,5-dimethylpyrazol-1-yl)-1-naphthalen-2-ylethanone
CID 90677359
N-ethyl-4-naphthalen-2-yl-4-oxobutanamide
CID 9076388
3-methyl-1-naphthalen-2-ylhexan-1-one
CID 55187540
dinaphthalen-2-ylmethanone
CID 10945915
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
benzyl-diethyl-[2-(naphthalene-2-carbonylamino)ethyl]azanium
CID 54366535
2-(butan-2-ylamino)-1-naphthalen-2-ylethanone
CID 82101621

Frequently Asked Questions

What is the IUPAC name of triethyl-(2-naphthalen-2-yl-2-oxoethyl)azanium?
The IUPAC name of triethyl-(2-naphthalen-2-yl-2-oxoethyl)azanium (CID 130452133) is triethyl-(2-naphthalen-2-yl-2-oxoethyl)azanium.
What is the SMILES notation for triethyl-(2-naphthalen-2-yl-2-oxoethyl)azanium?
The canonical SMILES for triethyl-(2-naphthalen-2-yl-2-oxoethyl)azanium is CC[N+](CC)(CC)CC(=O)c1ccc2ccccc2c1.
What is the InChIKey of triethyl-(2-naphthalen-2-yl-2-oxoethyl)azanium?
The InChIKey is BHTALCCPAHATMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24NO/c1-4-19(5-2,6-3)14-18(20)17-12-11-15-9-7-8-10-16(15)13-17/h7-13H,4-6,14H2,1-3H3/q+1.
What are the key properties of triethyl-(2-naphthalen-2-yl-2-oxoethyl)azanium?
triethyl-(2-naphthalen-2-yl-2-oxoethyl)azanium has a molecular weight of 270.40 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(2-naphthalen-2-yl-2-oxoethyl)azanium is sourced from PubChem (CID 130452133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).