azane;benzyl(trimethyl)azanium;hydroxide;hydrate

C10H22N2O2 — CID 174405671

IUPACazane;benzyl(trimethyl)azanium;hydroxide;hydrate
SMILESC[N+](C)(C)Cc1ccccc1.N.O.[OH-]
InChIInChI=1S/C10H16N.H3N.2H2O/c1-11(2,3)9-10-7-5-4-6-8-10;;;/h4-8H,9H2,1-3H3;1H3;2*1H2/q+1;;;/p-1
InChIKeyPZUDSCYHVMUKLX-UHFFFAOYSA-M
MW202.30 g/mol
LogP1.05
Rot. Bonds2

About azane;benzyl(trimethyl)azanium;hydroxide;hydrate

azane;benzyl(trimethyl)azanium;hydroxide;hydrate (PubChem CID 174405671) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is azane;benzyl(trimethyl)azanium;hydroxide;hydrate.

Molecular Properties

Compound Nameazane;benzyl(trimethyl)azanium;hydroxide;hydrate
PubChem CID174405671
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nameazane;benzyl(trimethyl)azanium;hydroxide;hydrate
SMILESC[N+](C)(C)Cc1ccccc1.N.O.[OH-]
InChIInChI=1S/C10H16N.H3N.2H2O/c1-11(2,3)9-10-7-5-4-6-8-10;;;/h4-8H,9H2,1-3H3;1H3;2*1H2/q+1;;;/p-1
InChIKeyPZUDSCYHVMUKLX-UHFFFAOYSA-M
XLogP1.05
TPSA96.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze azane;benzyl(trimethyl)azanium;hydroxide;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 87882196
CID 87882196
benzyl(trimethyl)azanium;trimethyl(phenyl)azanium;dihydroxide
CID 172808382
benzyl(trimethyl)azanium;chloro(trimethyl)alumanuide
CID 87100014
benzyl(trimethyl)azanium;hydroxymethanolate
CID 87247218
bis(benzyl(trimethyl)azanium);dihydroxy(dioxido)silane
CID 142675519
benzyl(trimethyl)azanium;ethoxyethane
CID 88793118
tris(benzyl(trimethyl)azanium);chlorobenzene;tribromide
CID 175078088
benzyl(trimethyl)azanium;propanedioic acid
CID 87600376
benzyl(triethyl)azanium;benzyl(trimethyl)azanium;dichloride
CID 141447337
dibenzyl(dimethyl)azanium;hydrate;hydrochloride
CID 126959891
benzyl(trimethyl)azanium;propanoate
CID 87903949
benzyl(trimethyl)azanium;4-methylmorpholine;hydroxide
CID 159939573

Frequently Asked Questions

What is the IUPAC name of azane;benzyl(trimethyl)azanium;hydroxide;hydrate?
The IUPAC name of azane;benzyl(trimethyl)azanium;hydroxide;hydrate (CID 174405671) is azane;benzyl(trimethyl)azanium;hydroxide;hydrate.
What is the SMILES notation for azane;benzyl(trimethyl)azanium;hydroxide;hydrate?
The canonical SMILES for azane;benzyl(trimethyl)azanium;hydroxide;hydrate is C[N+](C)(C)Cc1ccccc1.N.O.[OH-].
What is the InChIKey of azane;benzyl(trimethyl)azanium;hydroxide;hydrate?
The InChIKey is PZUDSCYHVMUKLX-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16N.H3N.2H2O/c1-11(2,3)9-10-7-5-4-6-8-10;;;/h4-8H,9H2,1-3H3;1H3;2*1H2/q+1;;;/p-1.
What are the key properties of azane;benzyl(trimethyl)azanium;hydroxide;hydrate?
azane;benzyl(trimethyl)azanium;hydroxide;hydrate has a molecular weight of 202.30 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;benzyl(trimethyl)azanium;hydroxide;hydrate is sourced from PubChem (CID 174405671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).