bis(2-hydroxyethyl)azanium;decanoate

C14H31NO4 — CID 87299732

IUPACbis(2-hydroxyethyl)azanium;decanoate
SMILESCCCCCCCCCC(=O)[O-].OCC[NH2+]CCO
InChIInChI=1S/C10H20O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10(11)12;6-3-1-5-2-4-7/h2-9H2,1H3,(H,11,12);5-7H,1-4H2
InChIKeyZCNCBFKBQRZZFC-UHFFFAOYSA-N
MW277.40 g/mol
LogP-0.59
Rot. Bonds12

About bis(2-hydroxyethyl)azanium;decanoate

bis(2-hydroxyethyl)azanium;decanoate (PubChem CID 87299732) has the molecular formula C14H31NO4 and a molecular weight of 277.40 g/mol. Its IUPAC name is bis(2-hydroxyethyl)azanium;decanoate.

Molecular Properties

Compound Namebis(2-hydroxyethyl)azanium;decanoate
PubChem CID87299732
Molecular FormulaC14H31NO4
Molecular Weight277.40 g/mol
Exact Mass277.23
IUPAC Namebis(2-hydroxyethyl)azanium;decanoate
SMILESCCCCCCCCCC(=O)[O-].OCC[NH2+]CCO
InChIInChI=1S/C10H20O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10(11)12;6-3-1-5-2-4-7/h2-9H2,1H3,(H,11,12);5-7H,1-4H2
InChIKeyZCNCBFKBQRZZFC-UHFFFAOYSA-N
XLogP-0.59
TPSA97.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
butan-1-ol;bis(octadecanoate);titanium(2+)
CID 158035093
sodium;dodecan-1-ol;octadecanoate
CID 174506535
cesium tetracosanoate
CID 140771917
bis(decanoate);iron(2+)
CID 22404555
lithium octatriacontanoate
CID 139791501
lithium nonapentacontanoate
CID 139791529
octanoate;rubidium(1+)
CID 23682003
tetrakis(octadecanoate);thorium(4+)
CID 160802738

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethyl)azanium;decanoate?
The IUPAC name of bis(2-hydroxyethyl)azanium;decanoate (CID 87299732) is bis(2-hydroxyethyl)azanium;decanoate.
What is the SMILES notation for bis(2-hydroxyethyl)azanium;decanoate?
The canonical SMILES for bis(2-hydroxyethyl)azanium;decanoate is CCCCCCCCCC(=O)[O-].OCC[NH2+]CCO.
What is the InChIKey of bis(2-hydroxyethyl)azanium;decanoate?
The InChIKey is ZCNCBFKBQRZZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10(11)12;6-3-1-5-2-4-7/h2-9H2,1H3,(H,11,12);5-7H,1-4H2.
What are the key properties of bis(2-hydroxyethyl)azanium;decanoate?
bis(2-hydroxyethyl)azanium;decanoate has a molecular weight of 277.40 g/mol, XLogP of -0.59, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl)azanium;decanoate is sourced from PubChem (CID 87299732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).