aminoazanium;decanoate

C10H24N2O2 — CID 158292126

IUPACaminoazanium;decanoate
SMILESCCCCCCCCCC(=O)[O-].N[NH3+]
InChIInChI=1S/C10H20O2.H4N2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2/h2-9H2,1H3,(H,11,12);1-2H2
InChIKeyGLMCYANHNSNDSL-UHFFFAOYSA-N
MW204.31 g/mol
LogP-0.02
Rot. Bonds8

About aminoazanium;decanoate

aminoazanium;decanoate (PubChem CID 158292126) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is aminoazanium;decanoate.

Molecular Properties

Compound Nameaminoazanium;decanoate
PubChem CID158292126
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Nameaminoazanium;decanoate
SMILESCCCCCCCCCC(=O)[O-].N[NH3+]
InChIInChI=1S/C10H20O2.H4N2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2/h2-9H2,1H3,(H,11,12);1-2H2
InChIKeyGLMCYANHNSNDSL-UHFFFAOYSA-N
XLogP-0.02
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

aminoazanium;octadecanoate
CID 161398696
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum tris(dodecanoate)
CID 18764696
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
calcium;hexadecanoate;octadecanoate
CID 22065418
bis(undecanoate);zirconium(2+)
CID 18995554
manganese(2+);bis(tricosanoate)
CID 100951425
decanoate;lanthanum(3+)
CID 21139452

Frequently Asked Questions

What is the IUPAC name of aminoazanium;decanoate?
The IUPAC name of aminoazanium;decanoate (CID 158292126) is aminoazanium;decanoate.
What is the SMILES notation for aminoazanium;decanoate?
The canonical SMILES for aminoazanium;decanoate is CCCCCCCCCC(=O)[O-].N[NH3+].
What is the InChIKey of aminoazanium;decanoate?
The InChIKey is GLMCYANHNSNDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.H4N2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2/h2-9H2,1H3,(H,11,12);1-2H2.
What are the key properties of aminoazanium;decanoate?
aminoazanium;decanoate has a molecular weight of 204.31 g/mol, XLogP of -0.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminoazanium;decanoate is sourced from PubChem (CID 158292126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).