diethyl-heptadecyl-hydroxyazanium

C21H46NO+ — CID 158229667

IUPACdiethyl-heptadecyl-hydroxyazanium
SMILESCCCCCCCCCCCCCCCCC[N+](O)(CC)CC
InChIInChI=1S/C21H46NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23,5-2)6-3/h23H,4-21H2,1-3H3/q+1
InChIKeyGEFKMCFAXPZHMF-UHFFFAOYSA-N
MW328.61 g/mol
LogP7.10
Rot. Bonds18

About diethyl-heptadecyl-hydroxyazanium

diethyl-heptadecyl-hydroxyazanium (PubChem CID 158229667) has the molecular formula C21H46NO+ and a molecular weight of 328.61 g/mol. Its IUPAC name is diethyl-heptadecyl-hydroxyazanium.

Molecular Properties

Compound Namediethyl-heptadecyl-hydroxyazanium
PubChem CID158229667
Molecular FormulaC21H46NO+
Molecular Weight328.61 g/mol
Exact Mass328.36
IUPAC Namediethyl-heptadecyl-hydroxyazanium
SMILESCCCCCCCCCCCCCCCCC[N+](O)(CC)CC
InChIInChI=1S/C21H46NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23,5-2)6-3/h23H,4-21H2,1-3H3/q+1
InChIKeyGEFKMCFAXPZHMF-UHFFFAOYSA-N
XLogP7.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.61
LogP ≤ 57.10
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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

hexadecyl-hydroxy-dioctadecylazanium
CID 19073496
dihexadecyl-hydroxy-propylazanium
CID 87484361
diethyl-hexadecyl-hydroxyazanium;methyl hydrogen sulfate
CID 174876687
hydroxy-bis(2-hydroxyethyl)-octadecylazanium
CID 123901300
trihydroxy(tetracosyl)azanium
CID 175938405
ethyl-dihexadecyl-hydroxyazanium;methyl sulfate
CID 22121726
diethyl-hydroxy-propylazanium hydroxide
CID 87829257
hydroxy-dimethyl-octadecylazanium hydroxide
CID 139772700
butyl-dihydroxy-icosylazanium bromide
CID 174881725
didecyl-hydroxy-methylazanium chloride
CID 175336679
N-heptadecyl-N-hydroxyoctadecan-1-amine oxide
CID 134330711
hydroxy-dimethyl-tetracosylazanium chloride
CID 158718920

Frequently Asked Questions

What is the IUPAC name of diethyl-heptadecyl-hydroxyazanium?
The IUPAC name of diethyl-heptadecyl-hydroxyazanium (CID 158229667) is diethyl-heptadecyl-hydroxyazanium.
What is the SMILES notation for diethyl-heptadecyl-hydroxyazanium?
The canonical SMILES for diethyl-heptadecyl-hydroxyazanium is CCCCCCCCCCCCCCCCC[N+](O)(CC)CC.
What is the InChIKey of diethyl-heptadecyl-hydroxyazanium?
The InChIKey is GEFKMCFAXPZHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23,5-2)6-3/h23H,4-21H2,1-3H3/q+1.
What are the key properties of diethyl-heptadecyl-hydroxyazanium?
diethyl-heptadecyl-hydroxyazanium has a molecular weight of 328.61 g/mol, XLogP of 7.10, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-heptadecyl-hydroxyazanium is sourced from PubChem (CID 158229667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).