heptyl-nonyl-diphenylazanium hydroxide

C28H45NO — CID 175510166

IUPACheptyl-nonyl-diphenylazanium hydroxide
SMILESCCCCCCCCC[N+](CCCCCCC)(c1ccccc1)c1ccccc1.[OH-]
InChIInChI=1S/C28H44N.H2O/c1-3-5-7-9-10-12-20-26-29(25-19-11-8-6-4-2,27-21-15-13-16-22-27)28-23-17-14-18-24-28;/h13-18,21-24H,3-12,19-20,25-26H2,1-2H3;1H2/q+1;/p-1
InChIKeyPFUOWZIQASWHJC-UHFFFAOYSA-M
MW411.67 g/mol
LogP8.87
Rot. Bonds16

About heptyl-nonyl-diphenylazanium hydroxide

heptyl-nonyl-diphenylazanium hydroxide (PubChem CID 175510166) has the molecular formula C28H45NO and a molecular weight of 411.67 g/mol. Its IUPAC name is heptyl-nonyl-diphenylazanium hydroxide.

Molecular Properties

Compound Nameheptyl-nonyl-diphenylazanium hydroxide
PubChem CID175510166
Molecular FormulaC28H45NO
Molecular Weight411.67 g/mol
Exact Mass411.35
IUPAC Nameheptyl-nonyl-diphenylazanium hydroxide
SMILESCCCCCCCCC[N+](CCCCCCC)(c1ccccc1)c1ccccc1.[OH-]
InChIInChI=1S/C28H44N.H2O/c1-3-5-7-9-10-12-20-26-29(25-19-11-8-6-4-2,27-21-15-13-16-22-27)28-23-17-14-18-24-28;/h13-18,21-24H,3-12,19-20,25-26H2,1-2H3;1H2/q+1;/p-1
InChIKeyPFUOWZIQASWHJC-UHFFFAOYSA-M
XLogP8.87
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.67
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

dihexyl(diphenyl)azanium
CID 18362526
diheptyl(diphenyl)azanium iodide
CID 69308025
dihexyl(diphenyl)azanium iodide
CID 69305411
dioctyl(diphenyl)azanium bromide
CID 69327421
ethyl-icosyl-diphenylazanium hydroxide
CID 70584575
hexadecyl-diphenyl-propylazanium chloride
CID 70520322
ethyl-octadecyl-diphenylazanium
CID 54523156
dibutyl(diphenyl)azanium chloride
CID 69306107
methyl-phenyl-di(tridecyl)azanium
CID 90292596
methyl-dioctadecyl-phenylazanium chloride
CID 157489990
dodecyl-dimethyl-phenylazanium hydroxide
CID 70585680
triphenyl(undecyl)azanium
CID 69395784

Frequently Asked Questions

What is the IUPAC name of heptyl-nonyl-diphenylazanium hydroxide?
The IUPAC name of heptyl-nonyl-diphenylazanium hydroxide (CID 175510166) is heptyl-nonyl-diphenylazanium hydroxide.
What is the SMILES notation for heptyl-nonyl-diphenylazanium hydroxide?
The canonical SMILES for heptyl-nonyl-diphenylazanium hydroxide is CCCCCCCCC[N+](CCCCCCC)(c1ccccc1)c1ccccc1.[OH-].
What is the InChIKey of heptyl-nonyl-diphenylazanium hydroxide?
The InChIKey is PFUOWZIQASWHJC-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H44N.H2O/c1-3-5-7-9-10-12-20-26-29(25-19-11-8-6-4-2,27-21-15-13-16-22-27)28-23-17-14-18-24-28;/h13-18,21-24H,3-12,19-20,25-26H2,1-2H3;1H2/q+1;/p-1.
What are the key properties of heptyl-nonyl-diphenylazanium hydroxide?
heptyl-nonyl-diphenylazanium hydroxide has a molecular weight of 411.67 g/mol, XLogP of 8.87, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl-nonyl-diphenylazanium hydroxide is sourced from PubChem (CID 175510166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).