dibenzyl(dihydroxy)azanium

C14H16NO2+ — CID 87501623

IUPACdibenzyl(dihydroxy)azanium
SMILESO[N+](O)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C14H16NO2/c16-15(17,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,16-17H,11-12H2/q+1
InChIKeyMNVAEXDFQOAKRJ-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.98
Rot. Bonds4

About dibenzyl(dihydroxy)azanium

dibenzyl(dihydroxy)azanium (PubChem CID 87501623) has the molecular formula C14H16NO2+ and a molecular weight of 230.29 g/mol. Its IUPAC name is dibenzyl(dihydroxy)azanium.

Molecular Properties

Compound Namedibenzyl(dihydroxy)azanium
PubChem CID87501623
Molecular FormulaC14H16NO2+
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Namedibenzyl(dihydroxy)azanium
SMILESO[N+](O)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C14H16NO2/c16-15(17,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,16-17H,11-12H2/q+1
InChIKeyMNVAEXDFQOAKRJ-UHFFFAOYSA-N
XLogP2.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

benzyl-ditert-butyl-hydroxyazanium
CID 126706338
tribenzyl(2-hydroxyethyl)azanium
CID 102387440
benzyl-(1-chloro-2-hydroxypropyl)-dimethylazanium chloride
CID 174737498
CID 87882196
CID 87882196
benzyl(trimethyl)azanium;hydroxymethanolate
CID 87247218
dibenzyl(dimethyl)azanium;hydrate;hydrochloride
CID 126959891
benzyl(triphenyl)azanium bromide
CID 13494846
bis(benzyl(trimethyl)azanium);dihydroxy(dioxido)silane
CID 142675519
sodium;benzyl(trimethyl)azanium;carbonic acid;sulfate
CID 158178095
tris(benzyl(triethyl)azanium);tribromide
CID 86596066
dibenzyl-ethyl-methylazanium
CID 87490135
azane;benzyl(trimethyl)azanium;hydroxide;hydrate
CID 174405671

Frequently Asked Questions

What is the IUPAC name of dibenzyl(dihydroxy)azanium?
The IUPAC name of dibenzyl(dihydroxy)azanium (CID 87501623) is dibenzyl(dihydroxy)azanium.
What is the SMILES notation for dibenzyl(dihydroxy)azanium?
The canonical SMILES for dibenzyl(dihydroxy)azanium is O[N+](O)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of dibenzyl(dihydroxy)azanium?
The InChIKey is MNVAEXDFQOAKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NO2/c16-15(17,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,16-17H,11-12H2/q+1.
What are the key properties of dibenzyl(dihydroxy)azanium?
dibenzyl(dihydroxy)azanium has a molecular weight of 230.29 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl(dihydroxy)azanium is sourced from PubChem (CID 87501623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).