2-dodecyltetradecyl(oxido)azanium

C26H55NO — CID 139671131

IUPAC2-dodecyltetradecyl(oxido)azanium
SMILESCCCCCCCCCCCCC(CCCCCCCCCCCC)C[NH2+][O-]
InChIInChI=1S/C26H55NO/c1-3-5-7-9-11-13-15-17-19-21-23-26(25-27-28)24-22-20-18-16-14-12-10-8-6-4-2/h26H,3-25,27H2,1-2H3
InChIKeyWVPUOWIWIDKYOW-UHFFFAOYSA-N
MW397.73 g/mol
LogP8.29
Rot. Bonds24

About 2-dodecyltetradecyl(oxido)azanium

2-dodecyltetradecyl(oxido)azanium (PubChem CID 139671131) has the molecular formula C26H55NO and a molecular weight of 397.73 g/mol. Its IUPAC name is 2-dodecyltetradecyl(oxido)azanium.

Molecular Properties

Compound Name2-dodecyltetradecyl(oxido)azanium
PubChem CID139671131
Molecular FormulaC26H55NO
Molecular Weight397.73 g/mol
Exact Mass397.43
IUPAC Name2-dodecyltetradecyl(oxido)azanium
SMILESCCCCCCCCCCCCC(CCCCCCCCCCCC)C[NH2+][O-]
InChIInChI=1S/C26H55NO/c1-3-5-7-9-11-13-15-17-19-21-23-26(25-27-28)24-22-20-18-16-14-12-10-8-6-4-2/h26H,3-25,27H2,1-2H3
InChIKeyWVPUOWIWIDKYOW-UHFFFAOYSA-N
XLogP8.29
TPSA39.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.73
LogP ≤ 58.29
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

2-hydroxyoctadecyl(oxido)azanium
CID 88638350
2-hydroxytetradecyl(oxido)azanium
CID 87719559
7-pentyltricosane
CID 90879409
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023
11-pentylheptacosane
CID 91575569
17-pentylhexatriacontane
CID 91327833
6-pentyldocosane
CID 90762104

Frequently Asked Questions

What is the IUPAC name of 2-dodecyltetradecyl(oxido)azanium?
The IUPAC name of 2-dodecyltetradecyl(oxido)azanium (CID 139671131) is 2-dodecyltetradecyl(oxido)azanium.
What is the SMILES notation for 2-dodecyltetradecyl(oxido)azanium?
The canonical SMILES for 2-dodecyltetradecyl(oxido)azanium is CCCCCCCCCCCCC(CCCCCCCCCCCC)C[NH2+][O-].
What is the InChIKey of 2-dodecyltetradecyl(oxido)azanium?
The InChIKey is WVPUOWIWIDKYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55NO/c1-3-5-7-9-11-13-15-17-19-21-23-26(25-27-28)24-22-20-18-16-14-12-10-8-6-4-2/h26H,3-25,27H2,1-2H3.
What are the key properties of 2-dodecyltetradecyl(oxido)azanium?
2-dodecyltetradecyl(oxido)azanium has a molecular weight of 397.73 g/mol, XLogP of 8.29, 24 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyltetradecyl(oxido)azanium is sourced from PubChem (CID 139671131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).