benzyl(trimethyl)azanium;chloro(trimethyl)alumanuide

C13H25AlClN — CID 87100014

IUPACbenzyl(trimethyl)azanium;chloro(trimethyl)alumanuide
SMILESC[Al-](C)(C)Cl.C[N+](C)(C)Cc1ccccc1
InChIInChI=1S/C10H16N.3CH3.Al.ClH/c1-11(2,3)9-10-7-5-4-6-8-10;;;;;/h4-8H,9H2,1-3H3;3*1H3;;1H/q+1;;;;;/p-1
InChIKeyMLDXNTIFILDFLT-UHFFFAOYSA-M
MW257.79 g/mol
LogP3.95
Rot. Bonds2

About benzyl(trimethyl)azanium;chloro(trimethyl)alumanuide

benzyl(trimethyl)azanium;chloro(trimethyl)alumanuide (PubChem CID 87100014) has the molecular formula C13H25AlClN and a molecular weight of 257.79 g/mol. Its IUPAC name is benzyl(trimethyl)azanium;chloro(trimethyl)alumanuide.

Molecular Properties

Compound Namebenzyl(trimethyl)azanium;chloro(trimethyl)alumanuide
PubChem CID87100014
Molecular FormulaC13H25AlClN
Molecular Weight257.79 g/mol
Exact Mass257.15
IUPAC Namebenzyl(trimethyl)azanium;chloro(trimethyl)alumanuide
SMILESC[Al-](C)(C)Cl.C[N+](C)(C)Cc1ccccc1
InChIInChI=1S/C10H16N.3CH3.Al.ClH/c1-11(2,3)9-10-7-5-4-6-8-10;;;;;/h4-8H,9H2,1-3H3;3*1H3;;1H/q+1;;;;;/p-1
InChIKeyMLDXNTIFILDFLT-UHFFFAOYSA-M
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 87882196
CID 87882196
azane;benzyl(trimethyl)azanium;hydroxide;hydrate
CID 174405671
tris(benzyl(trimethyl)azanium);chlorobenzene;tribromide
CID 175078088
benzyl(trimethyl)azanium;hydroxymethanolate
CID 87247218
benzyl(trimethyl)azanium;ethoxyethane
CID 88793118
bis(benzyl(trimethyl)azanium);dihydroxy(dioxido)silane
CID 142675519
benzyl(trimethyl)azanium;trimethyl(phenyl)azanium;dihydroxide
CID 172808382
benzyl(trimethyl)azanium;propanedioic acid
CID 87600376
benzyl(triethyl)azanium;benzyl(trimethyl)azanium;dichloride
CID 141447337
benzyl(trimethyl)azanium;propanoate
CID 87903949
sodium;benzyl(trimethyl)azanium;carbonic acid;sulfate
CID 158178095
benzyl(trimethyl)azanium;2-hydroxybenzoic acid
CID 6708827

Frequently Asked Questions

What is the IUPAC name of benzyl(trimethyl)azanium;chloro(trimethyl)alumanuide?
The IUPAC name of benzyl(trimethyl)azanium;chloro(trimethyl)alumanuide (CID 87100014) is benzyl(trimethyl)azanium;chloro(trimethyl)alumanuide.
What is the SMILES notation for benzyl(trimethyl)azanium;chloro(trimethyl)alumanuide?
The canonical SMILES for benzyl(trimethyl)azanium;chloro(trimethyl)alumanuide is C[Al-](C)(C)Cl.C[N+](C)(C)Cc1ccccc1.
What is the InChIKey of benzyl(trimethyl)azanium;chloro(trimethyl)alumanuide?
The InChIKey is MLDXNTIFILDFLT-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16N.3CH3.Al.ClH/c1-11(2,3)9-10-7-5-4-6-8-10;;;;;/h4-8H,9H2,1-3H3;3*1H3;;1H/q+1;;;;;/p-1.
What are the key properties of benzyl(trimethyl)azanium;chloro(trimethyl)alumanuide?
benzyl(trimethyl)azanium;chloro(trimethyl)alumanuide has a molecular weight of 257.79 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(trimethyl)azanium;chloro(trimethyl)alumanuide is sourced from PubChem (CID 87100014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).