2-[2-(decanoylamino)ethyl-dimethylazaniumyl]ethanolate

C16H34N2O2 — CID 10469263

IUPAC2-[2-(decanoylamino)ethyl-dimethylazaniumyl]ethanolate
SMILESCCCCCCCCCC(=O)NCC[N+](C)(C)CC[O-]
InChIInChI=1S/C16H34N2O2/c1-4-5-6-7-8-9-10-11-16(20)17-12-13-18(2,3)14-15-19/h4-15H2,1-3H3,(H,17,20)
InChIKeyPDYKERBHCMJPEG-UHFFFAOYSA-N
MW286.46 g/mol
LogP1.68
Rot. Bonds13

About 2-[2-(decanoylamino)ethyl-dimethylazaniumyl]ethanolate

2-[2-(decanoylamino)ethyl-dimethylazaniumyl]ethanolate (PubChem CID 10469263) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-[2-(decanoylamino)ethyl-dimethylazaniumyl]ethanolate.

Molecular Properties

Compound Name2-[2-(decanoylamino)ethyl-dimethylazaniumyl]ethanolate
PubChem CID10469263
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name2-[2-(decanoylamino)ethyl-dimethylazaniumyl]ethanolate
SMILESCCCCCCCCCC(=O)NCC[N+](C)(C)CC[O-]
InChIInChI=1S/C16H34N2O2/c1-4-5-6-7-8-9-10-11-16(20)17-12-13-18(2,3)14-15-19/h4-15H2,1-3H3,(H,17,20)
InChIKeyPDYKERBHCMJPEG-UHFFFAOYSA-N
XLogP1.68
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 51.68
H-Bond Donors ≤ 51
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'}

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Related Compounds

dimethyl-bis[2-(tetradecanoylamino)ethyl]azanium
CID 166487544
bis[2-(dodecanoylamino)ethyl]-dimethylazanium chloride
CID 87131100
dimethyl-[3-(octadecanoylamino)propyl]-octadecylazanium
CID 22757067
2-(heptanoylamino)ethyl-trimethylazanium
CID 101274918
3-(dodecanoylamino)propyl-dimethyl-tetradecylazanium chloride
CID 88804757
hexyl-dimethyl-[2-(undec-10-enoylamino)ethyl]azanium
CID 3344491
diethyl-methyl-[2-(octadecanoylamino)ethyl]azanium
CID 10530088
dimethyl-octyl-[2-(undec-10-enoylamino)ethyl]azanium bromide
CID 15007478
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
2-hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium iodide
CID 141035948
triethyl-[2-(heptanoylamino)ethyl]azanium
CID 101274921
tris(2-hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium);phosphate
CID 71437403

Frequently Asked Questions

What is the IUPAC name of 2-[2-(decanoylamino)ethyl-dimethylazaniumyl]ethanolate?
The IUPAC name of 2-[2-(decanoylamino)ethyl-dimethylazaniumyl]ethanolate (CID 10469263) is 2-[2-(decanoylamino)ethyl-dimethylazaniumyl]ethanolate.
What is the SMILES notation for 2-[2-(decanoylamino)ethyl-dimethylazaniumyl]ethanolate?
The canonical SMILES for 2-[2-(decanoylamino)ethyl-dimethylazaniumyl]ethanolate is CCCCCCCCCC(=O)NCC[N+](C)(C)CC[O-].
What is the InChIKey of 2-[2-(decanoylamino)ethyl-dimethylazaniumyl]ethanolate?
The InChIKey is PDYKERBHCMJPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-4-5-6-7-8-9-10-11-16(20)17-12-13-18(2,3)14-15-19/h4-15H2,1-3H3,(H,17,20).
What are the key properties of 2-[2-(decanoylamino)ethyl-dimethylazaniumyl]ethanolate?
2-[2-(decanoylamino)ethyl-dimethylazaniumyl]ethanolate has a molecular weight of 286.46 g/mol, XLogP of 1.68, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(decanoylamino)ethyl-dimethylazaniumyl]ethanolate is sourced from PubChem (CID 10469263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).