ethyl-(16-hydroxyhexadecyl)-dimethylazanium

C20H44NO+ — CID 91122577

IUPACethyl-(16-hydroxyhexadecyl)-dimethylazanium
SMILESCC[N+](C)(C)CCCCCCCCCCCCCCCCO
InChIInChI=1S/C20H44NO/c1-4-21(2,3)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22/h22H,4-20H2,1-3H3/q+1
InChIKeyOZYYYLAPQPIDBB-UHFFFAOYSA-N
MW314.58 g/mol
LogP5.54
Rot. Bonds17

About ethyl-(16-hydroxyhexadecyl)-dimethylazanium

ethyl-(16-hydroxyhexadecyl)-dimethylazanium (PubChem CID 91122577) has the molecular formula C20H44NO+ and a molecular weight of 314.58 g/mol. Its IUPAC name is ethyl-(16-hydroxyhexadecyl)-dimethylazanium.

Molecular Properties

Compound Nameethyl-(16-hydroxyhexadecyl)-dimethylazanium
PubChem CID91122577
Molecular FormulaC20H44NO+
Molecular Weight314.58 g/mol
Exact Mass314.34
IUPAC Nameethyl-(16-hydroxyhexadecyl)-dimethylazanium
SMILESCC[N+](C)(C)CCCCCCCCCCCCCCCCO
InChIInChI=1S/C20H44NO/c1-4-21(2,3)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22/h22H,4-20H2,1-3H3/q+1
InChIKeyOZYYYLAPQPIDBB-UHFFFAOYSA-N
XLogP5.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.58
LogP ≤ 55.54
H-Bond Donors ≤ 51
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

6-Dimethylaminohexan-1-ol
CID 74623
6-Dipropylamino-1-hexanol
CID 142645
Hydroxycetyl hydroxyethyl dimonium chloride
CID 3020019
Hexadecanaminium,N-bis(2-hydroxyethyl)-N-methyl-, chloride
CID 386355
2-(Diethylamino)hexadecan-1-ol
CID 10064198
6-(Diethylamino)-1-hexanol
CID 245054
2-Hydroxyethyl-(2-hydroxyheptadecyl)-dimethylazanium iodide
CID 45281167
1-(Diethylamino)hexadecan-2-ol
CID 57390598
2-Hexadecanol, 1-[bis(2-hydroxyethyl)amino]-
CID 89236
8-Dimethylamino-1-octanol
CID 9815358
2-(Dibutylamino)hexadecan-1-ol
CID 44420156
1-(11-Hydroxyundecyl)-1-methylpiperidin-1-ium Iodide
CID 45489329

Frequently Asked Questions

What is the IUPAC name of ethyl-(16-hydroxyhexadecyl)-dimethylazanium?
The IUPAC name of ethyl-(16-hydroxyhexadecyl)-dimethylazanium (CID 91122577) is ethyl-(16-hydroxyhexadecyl)-dimethylazanium.
What is the SMILES notation for ethyl-(16-hydroxyhexadecyl)-dimethylazanium?
The canonical SMILES for ethyl-(16-hydroxyhexadecyl)-dimethylazanium is CC[N+](C)(C)CCCCCCCCCCCCCCCCO.
What is the InChIKey of ethyl-(16-hydroxyhexadecyl)-dimethylazanium?
The InChIKey is OZYYYLAPQPIDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44NO/c1-4-21(2,3)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22/h22H,4-20H2,1-3H3/q+1.
What are the key properties of ethyl-(16-hydroxyhexadecyl)-dimethylazanium?
ethyl-(16-hydroxyhexadecyl)-dimethylazanium has a molecular weight of 314.58 g/mol, XLogP of 5.54, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(16-hydroxyhexadecyl)-dimethylazanium is sourced from PubChem (CID 91122577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).