benzyl-dipropyl-undecylazanium chloride

C24H44ClN — CID 20525514

IUPACbenzyl-dipropyl-undecylazanium chloride
SMILESCCCCCCCCCCC[N+](CCC)(CCC)Cc1ccccc1.[Cl-]
InChIInChI=1S/C24H44N.ClH/c1-4-7-8-9-10-11-12-13-17-22-25(20-5-2,21-6-3)23-24-18-15-14-16-19-24;/h14-16,18-19H,4-13,17,20-23H2,1-3H3;1H/q+1;/p-1
InChIKeyLQGXOZLWQFEPOV-UHFFFAOYSA-M
MW382.08 g/mol
LogP4.36
Rot. Bonds16

About benzyl-dipropyl-undecylazanium chloride

benzyl-dipropyl-undecylazanium chloride (PubChem CID 20525514) has the molecular formula C24H44ClN and a molecular weight of 382.08 g/mol. Its IUPAC name is benzyl-dipropyl-undecylazanium chloride.

Molecular Properties

Compound Namebenzyl-dipropyl-undecylazanium chloride
PubChem CID20525514
Molecular FormulaC24H44ClN
Molecular Weight382.08 g/mol
Exact Mass381.32
IUPAC Namebenzyl-dipropyl-undecylazanium chloride
SMILESCCCCCCCCCCC[N+](CCC)(CCC)Cc1ccccc1.[Cl-]
InChIInChI=1S/C24H44N.ClH/c1-4-7-8-9-10-11-12-13-17-22-25(20-5-2,21-6-3)23-24-18-15-14-16-19-24;/h14-16,18-19H,4-13,17,20-23H2,1-3H3;1H/q+1;/p-1
InChIKeyLQGXOZLWQFEPOV-UHFFFAOYSA-M
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.08
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzyl-dioctyl-propylazanium chloride
CID 88724211
benzyl-heptadecyl-dipropylazanium
CID 160895154
benzyl-tri(tetradecyl)azanium
CID 90292155
benzyl-butyl-didodecylazanium
CID 156729719
benzyl(triheptyl)azanium bromide
CID 88807131
dibenzyl(dioctyl)azanium
CID 87777407
tribenzyl(heptadecyl)azanium
CID 87810637
tribenzyl(tetradecyl)azanium bromide
CID 87777599
tribenzyl(heptyl)azanium iodide
CID 87777653
tribenzyl(decyl)azanium iodide
CID 87778750
dibenzyl(dihexyl)azanium bromide
CID 87778689
benzyl(tridodecyl)azanium perchlorate
CID 71370924

Frequently Asked Questions

What is the IUPAC name of benzyl-dipropyl-undecylazanium chloride?
The IUPAC name of benzyl-dipropyl-undecylazanium chloride (CID 20525514) is benzyl-dipropyl-undecylazanium chloride.
What is the SMILES notation for benzyl-dipropyl-undecylazanium chloride?
The canonical SMILES for benzyl-dipropyl-undecylazanium chloride is CCCCCCCCCCC[N+](CCC)(CCC)Cc1ccccc1.[Cl-].
What is the InChIKey of benzyl-dipropyl-undecylazanium chloride?
The InChIKey is LQGXOZLWQFEPOV-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H44N.ClH/c1-4-7-8-9-10-11-12-13-17-22-25(20-5-2,21-6-3)23-24-18-15-14-16-19-24;/h14-16,18-19H,4-13,17,20-23H2,1-3H3;1H/q+1;/p-1.
What are the key properties of benzyl-dipropyl-undecylazanium chloride?
benzyl-dipropyl-undecylazanium chloride has a molecular weight of 382.08 g/mol, XLogP of 4.36, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-dipropyl-undecylazanium chloride is sourced from PubChem (CID 20525514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).