hexyl(dimethyl)azanium acetate

C10H23NO2 — CID 132888314

IUPAChexyl(dimethyl)azanium acetate
SMILESCC(=O)[O-].CCCCCC[NH+](C)C
InChIInChI=1S/C8H19N.C2H4O2/c1-4-5-6-7-8-9(2)3;1-2(3)4/h4-8H2,1-3H3;1H3,(H,3,4)
InChIKeyONFGSWFPYUVJQT-UHFFFAOYSA-N
MW189.30 g/mol
LogP-0.53
Rot. Bonds5

About hexyl(dimethyl)azanium acetate

hexyl(dimethyl)azanium acetate (PubChem CID 132888314) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is hexyl(dimethyl)azanium acetate.

Molecular Properties

Compound Namehexyl(dimethyl)azanium acetate
PubChem CID132888314
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Namehexyl(dimethyl)azanium acetate
SMILESCC(=O)[O-].CCCCCC[NH+](C)C
InChIInChI=1S/C8H19N.C2H4O2/c1-4-5-6-7-8-9(2)3;1-2(3)4/h4-8H2,1-3H3;1H3,(H,3,4)
InChIKeyONFGSWFPYUVJQT-UHFFFAOYSA-N
XLogP-0.53
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze hexyl(dimethyl)azanium acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hexyl(dimethyl)azanium acetate?
The IUPAC name of hexyl(dimethyl)azanium acetate (CID 132888314) is hexyl(dimethyl)azanium acetate.
What is the SMILES notation for hexyl(dimethyl)azanium acetate?
The canonical SMILES for hexyl(dimethyl)azanium acetate is CC(=O)[O-].CCCCCC[NH+](C)C.
What is the InChIKey of hexyl(dimethyl)azanium acetate?
The InChIKey is ONFGSWFPYUVJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C2H4O2/c1-4-5-6-7-8-9(2)3;1-2(3)4/h4-8H2,1-3H3;1H3,(H,3,4).
What are the key properties of hexyl(dimethyl)azanium acetate?
hexyl(dimethyl)azanium acetate has a molecular weight of 189.30 g/mol, XLogP of -0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl(dimethyl)azanium acetate is sourced from PubChem (CID 132888314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).