benzyl-diethyl-octylazanium bromide

C19H34BrN — CID 71430300

IUPACbenzyl-diethyl-octylazanium bromide
SMILESCCCCCCCC[N+](CC)(CC)Cc1ccccc1.[Br-]
InChIInChI=1S/C19H34N.BrH/c1-4-7-8-9-10-14-17-20(5-2,6-3)18-19-15-12-11-13-16-19;/h11-13,15-16H,4-10,14,17-18H2,1-3H3;1H/q+1;/p-1
InChIKeyMTMBWYNJKUJBHU-UHFFFAOYSA-M
MW356.39 g/mol
LogP2.41
Rot. Bonds11

About benzyl-diethyl-octylazanium bromide

benzyl-diethyl-octylazanium bromide (PubChem CID 71430300) has the molecular formula C19H34BrN and a molecular weight of 356.39 g/mol. Its IUPAC name is benzyl-diethyl-octylazanium bromide.

Molecular Properties

Compound Namebenzyl-diethyl-octylazanium bromide
PubChem CID71430300
Molecular FormulaC19H34BrN
Molecular Weight356.39 g/mol
Exact Mass355.19
IUPAC Namebenzyl-diethyl-octylazanium bromide
SMILESCCCCCCCC[N+](CC)(CC)Cc1ccccc1.[Br-]
InChIInChI=1S/C19H34N.BrH/c1-4-7-8-9-10-14-17-20(5-2,6-3)18-19-15-12-11-13-16-19;/h11-13,15-16H,4-10,14,17-18H2,1-3H3;1H/q+1;/p-1
InChIKeyMTMBWYNJKUJBHU-UHFFFAOYSA-M
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.41
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

dibenzyl(dihexyl)azanium bromide
CID 87778689
tribenzyl(tetradecyl)azanium bromide
CID 87777599
benzyl(triheptyl)azanium bromide
CID 88807131
benzyl-diethyl-tetradecylazanium;N,N-dimethylmethanamine;bromide;hydrochloride
CID 173100676
tribenzyl(heptadecyl)azanium
CID 87810637
dibenzyl(dioctyl)azanium
CID 87777407
benzyl-tri(tetradecyl)azanium
CID 90292155
benzyl-diethyl-tetradecylazanium;trimethylazanium;dichloride
CID 158505012
tribenzyl(heptyl)azanium iodide
CID 87777653
benzyl-butyl-didodecylazanium
CID 156729719
tribenzyl(decyl)azanium iodide
CID 87778750
benzyl-heptadecyl-dipropylazanium
CID 160895154

Frequently Asked Questions

What is the IUPAC name of benzyl-diethyl-octylazanium bromide?
The IUPAC name of benzyl-diethyl-octylazanium bromide (CID 71430300) is benzyl-diethyl-octylazanium bromide.
What is the SMILES notation for benzyl-diethyl-octylazanium bromide?
The canonical SMILES for benzyl-diethyl-octylazanium bromide is CCCCCCCC[N+](CC)(CC)Cc1ccccc1.[Br-].
What is the InChIKey of benzyl-diethyl-octylazanium bromide?
The InChIKey is MTMBWYNJKUJBHU-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H34N.BrH/c1-4-7-8-9-10-14-17-20(5-2,6-3)18-19-15-12-11-13-16-19;/h11-13,15-16H,4-10,14,17-18H2,1-3H3;1H/q+1;/p-1.
What are the key properties of benzyl-diethyl-octylazanium bromide?
benzyl-diethyl-octylazanium bromide has a molecular weight of 356.39 g/mol, XLogP of 2.41, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-diethyl-octylazanium bromide is sourced from PubChem (CID 71430300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).