trimethyl-[3-(2-methylbutanoyloxy)propyl]azanium

C11H24NO2+ — CID 20764960

IUPACtrimethyl-[3-(2-methylbutanoyloxy)propyl]azanium
SMILESCCC(C)C(=O)OCCC[N+](C)(C)C
InChIInChI=1S/C11H24NO2/c1-6-10(2)11(13)14-9-7-8-12(3,4)5/h10H,6-9H2,1-5H3/q+1
InChIKeyXRGONOSCMPDGLX-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.67
Rot. Bonds6

About trimethyl-[3-(2-methylbutanoyloxy)propyl]azanium

trimethyl-[3-(2-methylbutanoyloxy)propyl]azanium (PubChem CID 20764960) has the molecular formula C11H24NO2+ and a molecular weight of 202.32 g/mol. Its IUPAC name is trimethyl-[3-(2-methylbutanoyloxy)propyl]azanium.

Molecular Properties

Compound Nametrimethyl-[3-(2-methylbutanoyloxy)propyl]azanium
PubChem CID20764960
Molecular FormulaC11H24NO2+
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC Nametrimethyl-[3-(2-methylbutanoyloxy)propyl]azanium
SMILESCCC(C)C(=O)OCCC[N+](C)(C)C
InChIInChI=1S/C11H24NO2/c1-6-10(2)11(13)14-9-7-8-12(3,4)5/h10H,6-9H2,1-5H3/q+1
InChIKeyXRGONOSCMPDGLX-UHFFFAOYSA-N
XLogP1.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trimethyl-[3-(2-methylbutanoyloxy)propyl]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

bis(3-(2,2-dimethylbutanoyloxy)propyl-trimethylazanium);trimethyl-[3-(2-methylbutanoyloxy)propyl]azanium;trichloride
CID 160559917
4-[dimethyl-[3-(2-methylbutanoyloxy)propyl]azaniumyl]butane-1-sulfonate
CID 59471098
propyl (2R)-2-methylbutanoate
CID 86306230
3-cyanopropyl 2-methylbutanoate
CID 59866982
trimethyl-[2-(2-methyltridecanoyloxy)ethyl]azanium
CID 59149018
methane;2-methoxyethyl 2-methylbutanoate
CID 165084023
3-dimethoxysilylpropyl 2-methylbutanoate
CID 159486241
3-hydroxypropyl 2-methylbutanoate;octadecyl 2-methylbutanoate
CID 91132998
4-(2-methylprop-2-enoyloxy)butyl 2-methylbutanoate
CID 59696121
3-methylpentyl 2-methylbutanoate
CID 3019319
(4-methyl-3-oxohexyl) 2-methylbutanoate
CID 58175067
3-[(2R)-2-methylbutanoyl]oxypropanoic acid
CID 89148058

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-(2-methylbutanoyloxy)propyl]azanium?
The IUPAC name of trimethyl-[3-(2-methylbutanoyloxy)propyl]azanium (CID 20764960) is trimethyl-[3-(2-methylbutanoyloxy)propyl]azanium.
What is the SMILES notation for trimethyl-[3-(2-methylbutanoyloxy)propyl]azanium?
The canonical SMILES for trimethyl-[3-(2-methylbutanoyloxy)propyl]azanium is CCC(C)C(=O)OCCC[N+](C)(C)C.
What is the InChIKey of trimethyl-[3-(2-methylbutanoyloxy)propyl]azanium?
The InChIKey is XRGONOSCMPDGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO2/c1-6-10(2)11(13)14-9-7-8-12(3,4)5/h10H,6-9H2,1-5H3/q+1.
What are the key properties of trimethyl-[3-(2-methylbutanoyloxy)propyl]azanium?
trimethyl-[3-(2-methylbutanoyloxy)propyl]azanium has a molecular weight of 202.32 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-(2-methylbutanoyloxy)propyl]azanium is sourced from PubChem (CID 20764960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).