benzyl(triethyl)azanium;benzyl(trimethyl)azanium;dichloride

C23H38Cl2N2 — CID 141447337

IUPACbenzyl(triethyl)azanium;benzyl(trimethyl)azanium;dichloride
SMILESCC[N+](CC)(CC)Cc1ccccc1.C[N+](C)(C)Cc1ccccc1.[Cl-].[Cl-]
InChIInChI=1S/C13H22N.C10H16N.2ClH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;1-11(2,3)9-10-7-5-4-6-8-10;;/h7-11H,4-6,12H2,1-3H3;4-8H,9H2,1-3H3;2*1H/q2*+1;;/p-2
InChIKeyHQPYNMQYHGNRKE-UHFFFAOYSA-L
MW413.48 g/mol
LogP-1.04
Rot. Bonds7

About benzyl(triethyl)azanium;benzyl(trimethyl)azanium;dichloride

benzyl(triethyl)azanium;benzyl(trimethyl)azanium;dichloride (PubChem CID 141447337) has the molecular formula C23H38Cl2N2 and a molecular weight of 413.48 g/mol. Its IUPAC name is benzyl(triethyl)azanium;benzyl(trimethyl)azanium;dichloride.

Molecular Properties

Compound Namebenzyl(triethyl)azanium;benzyl(trimethyl)azanium;dichloride
PubChem CID141447337
Molecular FormulaC23H38Cl2N2
Molecular Weight413.48 g/mol
Exact Mass412.24
IUPAC Namebenzyl(triethyl)azanium;benzyl(trimethyl)azanium;dichloride
SMILESCC[N+](CC)(CC)Cc1ccccc1.C[N+](C)(C)Cc1ccccc1.[Cl-].[Cl-]
InChIInChI=1S/C13H22N.C10H16N.2ClH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;1-11(2,3)9-10-7-5-4-6-8-10;;/h7-11H,4-6,12H2,1-3H3;4-8H,9H2,1-3H3;2*1H/q2*+1;;/p-2
InChIKeyHQPYNMQYHGNRKE-UHFFFAOYSA-L
XLogP-1.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 5-1.04
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

tris(benzyl(triethyl)azanium);tribromide
CID 86596066
azane;benzyl(triethyl)azanium;hydrofluoride
CID 174537374
azane;benzyl(triethyl)azanium;bromide;dihydrobromide
CID 172701063
CID 87882196
CID 87882196
benzyl(triethyl)azanium;trimethyl(phenyl)azanium
CID 158940719
azane;benzyl(trimethyl)azanium;hydroxide;hydrate
CID 174405671
benzyl(triethyl)azanium;hydrogen carbonate
CID 29687
dibenzyl-ethyl-propylazanium
CID 130331727
benzyl(trimethyl)azanium;ethoxyethane
CID 88793118
potassium;benzyl(triethyl)azanium;carbonic acid;hydride;hydrobromide
CID 174844713
benzyl(trimethyl)azanium;hydroxymethanolate
CID 87247218
benzyl(trimethyl)azanium;chloro(trimethyl)alumanuide
CID 87100014

Frequently Asked Questions

What is the IUPAC name of benzyl(triethyl)azanium;benzyl(trimethyl)azanium;dichloride?
The IUPAC name of benzyl(triethyl)azanium;benzyl(trimethyl)azanium;dichloride (CID 141447337) is benzyl(triethyl)azanium;benzyl(trimethyl)azanium;dichloride.
What is the SMILES notation for benzyl(triethyl)azanium;benzyl(trimethyl)azanium;dichloride?
The canonical SMILES for benzyl(triethyl)azanium;benzyl(trimethyl)azanium;dichloride is CC[N+](CC)(CC)Cc1ccccc1.C[N+](C)(C)Cc1ccccc1.[Cl-].[Cl-].
What is the InChIKey of benzyl(triethyl)azanium;benzyl(trimethyl)azanium;dichloride?
The InChIKey is HQPYNMQYHGNRKE-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H22N.C10H16N.2ClH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;1-11(2,3)9-10-7-5-4-6-8-10;;/h7-11H,4-6,12H2,1-3H3;4-8H,9H2,1-3H3;2*1H/q2*+1;;/p-2.
What are the key properties of benzyl(triethyl)azanium;benzyl(trimethyl)azanium;dichloride?
benzyl(triethyl)azanium;benzyl(trimethyl)azanium;dichloride has a molecular weight of 413.48 g/mol, XLogP of -1.04, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(triethyl)azanium;benzyl(trimethyl)azanium;dichloride is sourced from PubChem (CID 141447337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).