carboxymethyl-(10-hydroxydecyl)-dimethylazanium

C14H30NO3+ — CID 54427738

IUPACcarboxymethyl-(10-hydroxydecyl)-dimethylazanium
SMILESC[N+](C)(CCCCCCCCCCO)CC(=O)O
InChIInChI=1S/C14H29NO3/c1-15(2,13-14(17)18)11-9-7-5-3-4-6-8-10-12-16/h16H,3-13H2,1-2H3/p+1
InChIKeyFXFYJCZUUFGXSU-UHFFFAOYSA-O
MW260.40 g/mol
LogP2.26
Rot. Bonds12

About carboxymethyl-(10-hydroxydecyl)-dimethylazanium

carboxymethyl-(10-hydroxydecyl)-dimethylazanium (PubChem CID 54427738) has the molecular formula C14H30NO3+ and a molecular weight of 260.40 g/mol. Its IUPAC name is carboxymethyl-(10-hydroxydecyl)-dimethylazanium.

Molecular Properties

Compound Namecarboxymethyl-(10-hydroxydecyl)-dimethylazanium
PubChem CID54427738
Molecular FormulaC14H30NO3+
Molecular Weight260.40 g/mol
Exact Mass260.22
IUPAC Namecarboxymethyl-(10-hydroxydecyl)-dimethylazanium
SMILESC[N+](C)(CCCCCCCCCCO)CC(=O)O
InChIInChI=1S/C14H29NO3/c1-15(2,13-14(17)18)11-9-7-5-3-4-6-8-10-12-16/h16H,3-13H2,1-2H3/p+1
InChIKeyFXFYJCZUUFGXSU-UHFFFAOYSA-O
XLogP2.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
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

carboxymethyl-docosyl-dimethylazanium
CID 21149404
carboxymethyl-dimethyl-(11-sulfanylundecyl)azanium
CID 101240916
carboxymethyl-hexadecyl-dimethylazanium chloride
CID 21069695
4-aminobutyl-(carboxymethyl)-dimethylazanium
CID 151662160
6-hydroxyhexyl-[3-[6-hydroxyhexyl(dimethyl)azaniumyl]propyl]-dimethylazanium
CID 100915764
carboxymethyl-[3-[carboxymethyl(dimethyl)azaniumyl]propyl]-methyl-oxaldehydoylazanium
CID 88966423
3-hydroxypropyl-[6-[3-hydroxypropyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide
CID 24833340
21-hydroxyhenicosyl-dimethyl-octadecylazanium
CID 159508846
docosyl-(16-hydroxyhexadecyl)-dimethylazanium
CID 141314234
16-hydroxyhexadecyl-dimethyl-octadecylazanium
CID 88609359
bis(11-carboxyundecyl)-dimethylazanium
CID 102174919
carboxymethyl-dimethyl-(3-tetradecylperoxypropyl)azanium
CID 57255272

Frequently Asked Questions

What is the IUPAC name of carboxymethyl-(10-hydroxydecyl)-dimethylazanium?
The IUPAC name of carboxymethyl-(10-hydroxydecyl)-dimethylazanium (CID 54427738) is carboxymethyl-(10-hydroxydecyl)-dimethylazanium.
What is the SMILES notation for carboxymethyl-(10-hydroxydecyl)-dimethylazanium?
The canonical SMILES for carboxymethyl-(10-hydroxydecyl)-dimethylazanium is C[N+](C)(CCCCCCCCCCO)CC(=O)O.
What is the InChIKey of carboxymethyl-(10-hydroxydecyl)-dimethylazanium?
The InChIKey is FXFYJCZUUFGXSU-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H29NO3/c1-15(2,13-14(17)18)11-9-7-5-3-4-6-8-10-12-16/h16H,3-13H2,1-2H3/p+1.
What are the key properties of carboxymethyl-(10-hydroxydecyl)-dimethylazanium?
carboxymethyl-(10-hydroxydecyl)-dimethylazanium has a molecular weight of 260.40 g/mol, XLogP of 2.26, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl-(10-hydroxydecyl)-dimethylazanium is sourced from PubChem (CID 54427738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).