trimethyl(pentanoyloxy)azanium

C8H18NO2+ — CID 101455348

IUPACtrimethyl(pentanoyloxy)azanium
SMILESCCCCC(=O)O[N+](C)(C)C
InChIInChI=1S/C8H18NO2/c1-5-6-7-8(10)11-9(2,3)4/h5-7H2,1-4H3/q+1
InChIKeyGFSXDZZVTDHGHH-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.34
Rot. Bonds4

About trimethyl(pentanoyloxy)azanium

trimethyl(pentanoyloxy)azanium (PubChem CID 101455348) has the molecular formula C8H18NO2+ and a molecular weight of 160.24 g/mol. Its IUPAC name is trimethyl(pentanoyloxy)azanium.

Molecular Properties

Compound Nametrimethyl(pentanoyloxy)azanium
PubChem CID101455348
Molecular FormulaC8H18NO2+
Molecular Weight160.24 g/mol
Exact Mass160.13
IUPAC Nametrimethyl(pentanoyloxy)azanium
SMILESCCCCC(=O)O[N+](C)(C)C
InChIInChI=1S/C8H18NO2/c1-5-6-7-8(10)11-9(2,3)4/h5-7H2,1-4H3/q+1
InChIKeyGFSXDZZVTDHGHH-UHFFFAOYSA-N
XLogP1.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trimethyl(pentanoyloxy)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

dipentanoyl hexanedioate
CID 174373362
tri(hexanoyloxy)-propylazanium
CID 151860361
fluoro pentanoate;hydrochloride
CID 140774390
hydrazine;methyl pentanoate
CID 88709772
dodecanoyl dodecanoate;sulfane
CID 174888621
di(pentanoyloxy)indiganyl pentanoate
CID 16717023
(2-amino-2-oxoethyl) pentanoate
CID 142660312
bismuthane;propyl pentanoate
CID 174550006
pentanoyloxysulfinyl pentanoate
CID 54331487
[octyl-di(pentanoyloxy)stannyl] pentanoate
CID 71337905
trimethyl(octanoyloxymethyl)azanium
CID 20552758
heptadecanoyloxymethyl(trimethyl)azanium
CID 71442108

Frequently Asked Questions

What is the IUPAC name of trimethyl(pentanoyloxy)azanium?
The IUPAC name of trimethyl(pentanoyloxy)azanium (CID 101455348) is trimethyl(pentanoyloxy)azanium.
What is the SMILES notation for trimethyl(pentanoyloxy)azanium?
The canonical SMILES for trimethyl(pentanoyloxy)azanium is CCCCC(=O)O[N+](C)(C)C.
What is the InChIKey of trimethyl(pentanoyloxy)azanium?
The InChIKey is GFSXDZZVTDHGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO2/c1-5-6-7-8(10)11-9(2,3)4/h5-7H2,1-4H3/q+1.
What are the key properties of trimethyl(pentanoyloxy)azanium?
trimethyl(pentanoyloxy)azanium has a molecular weight of 160.24 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(pentanoyloxy)azanium is sourced from PubChem (CID 101455348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).