2-hydroxyethyl-[7-[2-hydroxyethyl(dimethyl)azaniumyl]heptyl]-dimethylazanium

C15H36N2O2+2 — CID 153362920

IUPAC2-hydroxyethyl-[7-[2-hydroxyethyl(dimethyl)azaniumyl]heptyl]-dimethylazanium
SMILESC[N+](C)(CCO)CCCCCCC[N+](C)(C)CCO
InChIInChI=1S/C15H36N2O2/c1-16(2,12-14-18)10-8-6-5-7-9-11-17(3,4)13-15-19/h18-19H,5-15H2,1-4H3/q+2
InChIKeyGFIPYZCWUFCUAK-UHFFFAOYSA-N
MW276.47 g/mol
LogP1.07
Rot. Bonds12

About 2-hydroxyethyl-[7-[2-hydroxyethyl(dimethyl)azaniumyl]heptyl]-dimethylazanium

2-hydroxyethyl-[7-[2-hydroxyethyl(dimethyl)azaniumyl]heptyl]-dimethylazanium (PubChem CID 153362920) has the molecular formula C15H36N2O2+2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-hydroxyethyl-[7-[2-hydroxyethyl(dimethyl)azaniumyl]heptyl]-dimethylazanium.

Molecular Properties

Compound Name2-hydroxyethyl-[7-[2-hydroxyethyl(dimethyl)azaniumyl]heptyl]-dimethylazanium
PubChem CID153362920
Molecular FormulaC15H36N2O2+2
Molecular Weight276.47 g/mol
Exact Mass276.28
IUPAC Name2-hydroxyethyl-[7-[2-hydroxyethyl(dimethyl)azaniumyl]heptyl]-dimethylazanium
SMILESC[N+](C)(CCO)CCCCCCC[N+](C)(C)CCO
InChIInChI=1S/C15H36N2O2/c1-16(2,12-14-18)10-8-6-5-7-9-11-17(3,4)13-15-19/h18-19H,5-15H2,1-4H3/q+2
InChIKeyGFIPYZCWUFCUAK-UHFFFAOYSA-N
XLogP1.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 51.07
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

5-[dimethyl(propyl)azaniumyl]pentyl-(2-hydroxyethyl)-dimethylazanium dibromide
CID 159049358
12-bromododecyl-(2-hydroxyethyl)-dimethylazanium bromide
CID 118340389
bis(decyl-(2-hydroxyethyl)-dimethylazanium);dichloride;hydrobromide
CID 172747329
3-hydroxypropyl-[6-[3-hydroxypropyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide
CID 24833340
6-hydroxyhexyl-[3-[6-hydroxyhexyl(dimethyl)azaniumyl]propyl]-dimethylazanium
CID 100915764
2-hydroxyethyl-dimethyl-octylazanium hexafluorophosphate
CID 177164068
2-hydroxyethyl-dimethyl-octadecylazanium;nitrous acid
CID 174836924
10-[bis(2-hydroxyethyl)-methylazaniumyl]decyl-bis(2-hydroxyethyl)-methylazanium bromide
CID 54607801
3-hydroxypropyl-dimethyl-octylazanium
CID 139953479
docosyl-(16-hydroxyhexadecyl)-dimethylazanium
CID 141314234
16-hydroxyhexadecyl-dimethyl-octadecylazanium
CID 88609359
21-hydroxyhenicosyl-dimethyl-octadecylazanium
CID 159508846

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-[7-[2-hydroxyethyl(dimethyl)azaniumyl]heptyl]-dimethylazanium?
The IUPAC name of 2-hydroxyethyl-[7-[2-hydroxyethyl(dimethyl)azaniumyl]heptyl]-dimethylazanium (CID 153362920) is 2-hydroxyethyl-[7-[2-hydroxyethyl(dimethyl)azaniumyl]heptyl]-dimethylazanium.
What is the SMILES notation for 2-hydroxyethyl-[7-[2-hydroxyethyl(dimethyl)azaniumyl]heptyl]-dimethylazanium?
The canonical SMILES for 2-hydroxyethyl-[7-[2-hydroxyethyl(dimethyl)azaniumyl]heptyl]-dimethylazanium is C[N+](C)(CCO)CCCCCCC[N+](C)(C)CCO.
What is the InChIKey of 2-hydroxyethyl-[7-[2-hydroxyethyl(dimethyl)azaniumyl]heptyl]-dimethylazanium?
The InChIKey is GFIPYZCWUFCUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36N2O2/c1-16(2,12-14-18)10-8-6-5-7-9-11-17(3,4)13-15-19/h18-19H,5-15H2,1-4H3/q+2.
What are the key properties of 2-hydroxyethyl-[7-[2-hydroxyethyl(dimethyl)azaniumyl]heptyl]-dimethylazanium?
2-hydroxyethyl-[7-[2-hydroxyethyl(dimethyl)azaniumyl]heptyl]-dimethylazanium has a molecular weight of 276.47 g/mol, XLogP of 1.07, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-[7-[2-hydroxyethyl(dimethyl)azaniumyl]heptyl]-dimethylazanium is sourced from PubChem (CID 153362920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).