decyl-(3,3-dimethyl-2-oxobutyl)-dimethylazanium

C18H38NO+ — CID 12727808

IUPACdecyl-(3,3-dimethyl-2-oxobutyl)-dimethylazanium
SMILESCCCCCCCCCC[N+](C)(C)CC(=O)C(C)(C)C
InChIInChI=1S/C18H38NO/c1-7-8-9-10-11-12-13-14-15-19(5,6)16-17(20)18(2,3)4/h7-16H2,1-6H3/q+1
InChIKeyWETQADICLSKUAJ-UHFFFAOYSA-N
MW284.51 g/mol
LogP4.82
Rot. Bonds11

About decyl-(3,3-dimethyl-2-oxobutyl)-dimethylazanium

decyl-(3,3-dimethyl-2-oxobutyl)-dimethylazanium (PubChem CID 12727808) has the molecular formula C18H38NO+ and a molecular weight of 284.51 g/mol. Its IUPAC name is decyl-(3,3-dimethyl-2-oxobutyl)-dimethylazanium.

Molecular Properties

Compound Namedecyl-(3,3-dimethyl-2-oxobutyl)-dimethylazanium
PubChem CID12727808
Molecular FormulaC18H38NO+
Molecular Weight284.51 g/mol
Exact Mass284.29
IUPAC Namedecyl-(3,3-dimethyl-2-oxobutyl)-dimethylazanium
SMILESCCCCCCCCCC[N+](C)(C)CC(=O)C(C)(C)C
InChIInChI=1S/C18H38NO/c1-7-8-9-10-11-12-13-14-15-19(5,6)16-17(20)18(2,3)4/h7-16H2,1-6H3/q+1
InChIKeyWETQADICLSKUAJ-UHFFFAOYSA-N
XLogP4.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.51
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze decyl-(3,3-dimethyl-2-oxobutyl)-dimethylazanium 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

carboxymethyl-docosyl-dimethylazanium
CID 21149404
2-[dodecyl(dimethyl)azaniumyl]acetate
CID 172850444
carboxymethyl-hexadecyl-dimethylazanium chloride
CID 21069695
(2-methoxy-2-oxoethyl)-dimethyl-tetradecylazanium
CID 12573214
dodecyl-(2-methoxy-2-oxoethyl)-dimethylazanium
CID 12573210
acetic acid;didecyl(dimethyl)azanium
CID 87374171
[2-[6-[[2-[dimethyl(octyl)azaniumyl]acetyl]amino]hexylamino]-2-oxoethyl]-dimethyl-octylazanium
CID 122212878
12-[dimethyl-[2-(octylamino)-2-oxoethyl]azaniumyl]dodecyl-dimethyl-[2-(octylamino)-2-oxoethyl]azanium
CID 134154384
decyl-dimethyl-tetradecylazanium
CID 13075680
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-hexadecyl-dimethylazanium
CID 102585787

Frequently Asked Questions

What is the IUPAC name of decyl-(3,3-dimethyl-2-oxobutyl)-dimethylazanium?
The IUPAC name of decyl-(3,3-dimethyl-2-oxobutyl)-dimethylazanium (CID 12727808) is decyl-(3,3-dimethyl-2-oxobutyl)-dimethylazanium.
What is the SMILES notation for decyl-(3,3-dimethyl-2-oxobutyl)-dimethylazanium?
The canonical SMILES for decyl-(3,3-dimethyl-2-oxobutyl)-dimethylazanium is CCCCCCCCCC[N+](C)(C)CC(=O)C(C)(C)C.
What is the InChIKey of decyl-(3,3-dimethyl-2-oxobutyl)-dimethylazanium?
The InChIKey is WETQADICLSKUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38NO/c1-7-8-9-10-11-12-13-14-15-19(5,6)16-17(20)18(2,3)4/h7-16H2,1-6H3/q+1.
What are the key properties of decyl-(3,3-dimethyl-2-oxobutyl)-dimethylazanium?
decyl-(3,3-dimethyl-2-oxobutyl)-dimethylazanium has a molecular weight of 284.51 g/mol, XLogP of 4.82, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-(3,3-dimethyl-2-oxobutyl)-dimethylazanium is sourced from PubChem (CID 12727808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).