dotriacontyl(oxido)azanium

C32H67NO — CID 141095067

IUPACdotriacontyl(oxido)azanium
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[NH2+][O-]
InChIInChI=1S/C32H67NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34/h2-33H2,1H3
InChIKeyFLASHRHZTALQST-UHFFFAOYSA-N
MW481.89 g/mol
LogP10.77
Rot. Bonds31

About dotriacontyl(oxido)azanium

dotriacontyl(oxido)azanium (PubChem CID 141095067) has the molecular formula C32H67NO and a molecular weight of 481.89 g/mol. Its IUPAC name is dotriacontyl(oxido)azanium.

Molecular Properties

Compound Namedotriacontyl(oxido)azanium
PubChem CID141095067
Molecular FormulaC32H67NO
Molecular Weight481.89 g/mol
Exact Mass481.52
IUPAC Namedotriacontyl(oxido)azanium
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[NH2+][O-]
InChIInChI=1S/C32H67NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34/h2-33H2,1H3
InChIKeyFLASHRHZTALQST-UHFFFAOYSA-N
XLogP10.77
TPSA39.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds31
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.89
LogP ≤ 510.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

docos-13-enyl(oxido)azanium
CID 173065325
3-hexoxypropyl(oxido)azanium
CID 139977225
octadecan-1-amine;oxido(propyl)azanium
CID 174613083
didodecylazanium fluoride
CID 87135434
butyl(dodecyl)azanium
CID 91941247
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
heptahectane
CID 123338944
dopentacontahectane
CID 23391374
decane;heptane
CID 159049036

Frequently Asked Questions

What is the IUPAC name of dotriacontyl(oxido)azanium?
The IUPAC name of dotriacontyl(oxido)azanium (CID 141095067) is dotriacontyl(oxido)azanium.
What is the SMILES notation for dotriacontyl(oxido)azanium?
The canonical SMILES for dotriacontyl(oxido)azanium is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[NH2+][O-].
What is the InChIKey of dotriacontyl(oxido)azanium?
The InChIKey is FLASHRHZTALQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H67NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34/h2-33H2,1H3.
What are the key properties of dotriacontyl(oxido)azanium?
dotriacontyl(oxido)azanium has a molecular weight of 481.89 g/mol, XLogP of 10.77, 31 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dotriacontyl(oxido)azanium is sourced from PubChem (CID 141095067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).