benzyl(trimethyl)azanium;trimethyl(phenyl)azanium;dihydroxide

C19H32N2O2 — CID 172808382

IUPACbenzyl(trimethyl)azanium;trimethyl(phenyl)azanium;dihydroxide
SMILESC[N+](C)(C)Cc1ccccc1.C[N+](C)(C)c1ccccc1.[OH-].[OH-]
InChIInChI=1S/C10H16N.C9H14N.2H2O/c1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)9-7-5-4-6-8-9;;/h4-8H,9H2,1-3H3;4-8H,1-3H3;2*1H2/q2*+1;;/p-2
InChIKeyRVEHZQLBFYBBFA-UHFFFAOYSA-L
MW320.48 g/mol
LogP3.42
Rot. Bonds3

About benzyl(trimethyl)azanium;trimethyl(phenyl)azanium;dihydroxide

benzyl(trimethyl)azanium;trimethyl(phenyl)azanium;dihydroxide (PubChem CID 172808382) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is benzyl(trimethyl)azanium;trimethyl(phenyl)azanium;dihydroxide.

Molecular Properties

Compound Namebenzyl(trimethyl)azanium;trimethyl(phenyl)azanium;dihydroxide
PubChem CID172808382
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Namebenzyl(trimethyl)azanium;trimethyl(phenyl)azanium;dihydroxide
SMILESC[N+](C)(C)Cc1ccccc1.C[N+](C)(C)c1ccccc1.[OH-].[OH-]
InChIInChI=1S/C10H16N.C9H14N.2H2O/c1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)9-7-5-4-6-8-9;;/h4-8H,9H2,1-3H3;4-8H,1-3H3;2*1H2/q2*+1;;/p-2
InChIKeyRVEHZQLBFYBBFA-UHFFFAOYSA-L
XLogP3.42
TPSA60.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;benzyl(trimethyl)azanium;hydroxide;hydrate
CID 174405671
CID 87882196
CID 87882196
benzyl(triethyl)azanium;trimethyl(phenyl)azanium
CID 158940719
benzyl(trimethyl)azanium;chloro(trimethyl)alumanuide
CID 87100014
benzyl(trimethyl)azanium;hydroxymethanolate
CID 87247218
dimethyl-(113C)methyl-phenylazanium iodide
CID 11334548
trimethyl(phenyl)azanium fluoride
CID 15787908
benzyl(trimethyl)azanium;ethoxyethane
CID 88793118
bis(benzyl(trimethyl)azanium);dihydroxy(dioxido)silane
CID 142675519
tris(benzyl(trimethyl)azanium);chlorobenzene;tribromide
CID 175078088
benzyl(trimethyl)azanium;propanedioic acid
CID 87600376
benzyl(triethyl)azanium;benzyl(trimethyl)azanium;dichloride
CID 141447337

Frequently Asked Questions

What is the IUPAC name of benzyl(trimethyl)azanium;trimethyl(phenyl)azanium;dihydroxide?
The IUPAC name of benzyl(trimethyl)azanium;trimethyl(phenyl)azanium;dihydroxide (CID 172808382) is benzyl(trimethyl)azanium;trimethyl(phenyl)azanium;dihydroxide.
What is the SMILES notation for benzyl(trimethyl)azanium;trimethyl(phenyl)azanium;dihydroxide?
The canonical SMILES for benzyl(trimethyl)azanium;trimethyl(phenyl)azanium;dihydroxide is C[N+](C)(C)Cc1ccccc1.C[N+](C)(C)c1ccccc1.[OH-].[OH-].
What is the InChIKey of benzyl(trimethyl)azanium;trimethyl(phenyl)azanium;dihydroxide?
The InChIKey is RVEHZQLBFYBBFA-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H16N.C9H14N.2H2O/c1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)9-7-5-4-6-8-9;;/h4-8H,9H2,1-3H3;4-8H,1-3H3;2*1H2/q2*+1;;/p-2.
What are the key properties of benzyl(trimethyl)azanium;trimethyl(phenyl)azanium;dihydroxide?
benzyl(trimethyl)azanium;trimethyl(phenyl)azanium;dihydroxide has a molecular weight of 320.48 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(trimethyl)azanium;trimethyl(phenyl)azanium;dihydroxide is sourced from PubChem (CID 172808382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).