2-methylpentan-2-yl-nonyl-diphenylazanium

C27H42N+ — CID 118663520

IUPAC2-methylpentan-2-yl-nonyl-diphenylazanium
SMILESCCCCCCCCC[N+](c1ccccc1)(c1ccccc1)C(C)(C)CCC
InChIInChI=1S/C27H42N/c1-5-7-8-9-10-11-18-24-28(27(3,4)23-6-2,25-19-14-12-15-20-25)26-21-16-13-17-22-26/h12-17,19-22H,5-11,18,23-24H2,1-4H3/q+1
InChIKeyFHFFCBFZNNVCDL-UHFFFAOYSA-N
MW380.64 g/mol
LogP8.65
Rot. Bonds13

About 2-methylpentan-2-yl-nonyl-diphenylazanium

2-methylpentan-2-yl-nonyl-diphenylazanium (PubChem CID 118663520) has the molecular formula C27H42N+ and a molecular weight of 380.64 g/mol. Its IUPAC name is 2-methylpentan-2-yl-nonyl-diphenylazanium.

Molecular Properties

Compound Name2-methylpentan-2-yl-nonyl-diphenylazanium
PubChem CID118663520
Molecular FormulaC27H42N+
Molecular Weight380.64 g/mol
Exact Mass380.33
IUPAC Name2-methylpentan-2-yl-nonyl-diphenylazanium
SMILESCCCCCCCCC[N+](c1ccccc1)(c1ccccc1)C(C)(C)CCC
InChIInChI=1S/C27H42N/c1-5-7-8-9-10-11-18-24-28(27(3,4)23-6-2,25-19-14-12-15-20-25)26-21-16-13-17-22-26/h12-17,19-22H,5-11,18,23-24H2,1-4H3/q+1
InChIKeyFHFFCBFZNNVCDL-UHFFFAOYSA-N
XLogP8.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.64
LogP ≤ 58.65
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

triphenyl(undecyl)azanium
CID 69395784
dihexyl(diphenyl)azanium
CID 18362526
diheptyl(diphenyl)azanium iodide
CID 69308025
triphenyl(tetradecyl)azanium iodide
CID 69306289
dihexyl(diphenyl)azanium iodide
CID 69305411
diethyl-hexadecyl-phenylazanium bromide
CID 163210930
decyl(triphenyl)azanium iodide
CID 69306188
heptyl-nonyl-diphenylazanium hydroxide
CID 175510166
methyl-phenyl-di(tridecyl)azanium
CID 90292596
octadecyl(triphenyl)azanium bromide
CID 69305421
diethyl-heptadecyl-phenylazanium
CID 163210934
dimethyl-octyl-phenylazanium
CID 54404840

Frequently Asked Questions

What is the IUPAC name of 2-methylpentan-2-yl-nonyl-diphenylazanium?
The IUPAC name of 2-methylpentan-2-yl-nonyl-diphenylazanium (CID 118663520) is 2-methylpentan-2-yl-nonyl-diphenylazanium.
What is the SMILES notation for 2-methylpentan-2-yl-nonyl-diphenylazanium?
The canonical SMILES for 2-methylpentan-2-yl-nonyl-diphenylazanium is CCCCCCCCC[N+](c1ccccc1)(c1ccccc1)C(C)(C)CCC.
What is the InChIKey of 2-methylpentan-2-yl-nonyl-diphenylazanium?
The InChIKey is FHFFCBFZNNVCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N/c1-5-7-8-9-10-11-18-24-28(27(3,4)23-6-2,25-19-14-12-15-20-25)26-21-16-13-17-22-26/h12-17,19-22H,5-11,18,23-24H2,1-4H3/q+1.
What are the key properties of 2-methylpentan-2-yl-nonyl-diphenylazanium?
2-methylpentan-2-yl-nonyl-diphenylazanium has a molecular weight of 380.64 g/mol, XLogP of 8.65, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentan-2-yl-nonyl-diphenylazanium is sourced from PubChem (CID 118663520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).