hexylazanium acetate

C8H19NO2 — CID 22450935

IUPAChexylazanium acetate
SMILESCC(=O)[O-].CCCCCC[NH3+]
InChIInChI=1S/C6H15N.C2H4O2/c1-2-3-4-5-6-7;1-2(3)4/h2-7H2,1H3;1H3,(H,3,4)
InChIKeyHSULLSUSGAHAOJ-UHFFFAOYSA-N
MW161.25 g/mol
LogP-0.44
Rot. Bonds4

About hexylazanium acetate

hexylazanium acetate (PubChem CID 22450935) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is hexylazanium acetate.

Molecular Properties

Compound Namehexylazanium acetate
PubChem CID22450935
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Namehexylazanium acetate
SMILESCC(=O)[O-].CCCCCC[NH3+]
InChIInChI=1S/C6H15N.C2H4O2/c1-2-3-4-5-6-7;1-2(3)4/h2-7H2,1H3;1H3,(H,3,4)
InChIKeyHSULLSUSGAHAOJ-UHFFFAOYSA-N
XLogP-0.44
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze hexylazanium 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 hexylazanium acetate?
The IUPAC name of hexylazanium acetate (CID 22450935) is hexylazanium acetate.
What is the SMILES notation for hexylazanium acetate?
The canonical SMILES for hexylazanium acetate is CC(=O)[O-].CCCCCC[NH3+].
What is the InChIKey of hexylazanium acetate?
The InChIKey is HSULLSUSGAHAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2H4O2/c1-2-3-4-5-6-7;1-2(3)4/h2-7H2,1H3;1H3,(H,3,4).
What are the key properties of hexylazanium acetate?
hexylazanium acetate has a molecular weight of 161.25 g/mol, XLogP of -0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexylazanium acetate is sourced from PubChem (CID 22450935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).