ethyl-(2-hydroxypentadecyl)-dimethylazanium

C19H42NO+ — CID 141451685

IUPACethyl-(2-hydroxypentadecyl)-dimethylazanium
SMILESCCCCCCCCCCCCCC(O)C[N+](C)(C)CC
InChIInChI=1S/C19H42NO/c1-5-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(3,4)6-2/h19,21H,5-18H2,1-4H3/q+1
InChIKeyMYTKYEJVVRDUKB-UHFFFAOYSA-N
MW300.55 g/mol
LogP5.14
Rot. Bonds15

About ethyl-(2-hydroxypentadecyl)-dimethylazanium

ethyl-(2-hydroxypentadecyl)-dimethylazanium (PubChem CID 141451685) has the molecular formula C19H42NO+ and a molecular weight of 300.55 g/mol. Its IUPAC name is ethyl-(2-hydroxypentadecyl)-dimethylazanium.

Molecular Properties

Compound Nameethyl-(2-hydroxypentadecyl)-dimethylazanium
PubChem CID141451685
Molecular FormulaC19H42NO+
Molecular Weight300.55 g/mol
Exact Mass300.33
IUPAC Nameethyl-(2-hydroxypentadecyl)-dimethylazanium
SMILESCCCCCCCCCCCCCC(O)C[N+](C)(C)CC
InChIInChI=1S/C19H42NO/c1-5-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(3,4)6-2/h19,21H,5-18H2,1-4H3/q+1
InChIKeyMYTKYEJVVRDUKB-UHFFFAOYSA-N
XLogP5.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.55
LogP ≤ 55.14
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

2-hydroxytetradecyl-dimethyl-propylazanium
CID 157339013
decyl-(2-hydroxydodecyl)-dimethylazanium
CID 10072473
2-hydroxyhexadecyl-dimethyl-octadecylazanium chloride
CID 175188143
diethyl-bis(2-hydroxyoctadecyl)azanium
CID 87485122
3-[dimethyl(octadecyl)azaniumyl]propyl-(2-hydroxyoctadecyl)-dimethylazanium
CID 21259645
tetracosan-6-ol
CID 154265400
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetratetracontan-22-ol
CID 91434437
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851

Frequently Asked Questions

What is the IUPAC name of ethyl-(2-hydroxypentadecyl)-dimethylazanium?
The IUPAC name of ethyl-(2-hydroxypentadecyl)-dimethylazanium (CID 141451685) is ethyl-(2-hydroxypentadecyl)-dimethylazanium.
What is the SMILES notation for ethyl-(2-hydroxypentadecyl)-dimethylazanium?
The canonical SMILES for ethyl-(2-hydroxypentadecyl)-dimethylazanium is CCCCCCCCCCCCCC(O)C[N+](C)(C)CC.
What is the InChIKey of ethyl-(2-hydroxypentadecyl)-dimethylazanium?
The InChIKey is MYTKYEJVVRDUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42NO/c1-5-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(3,4)6-2/h19,21H,5-18H2,1-4H3/q+1.
What are the key properties of ethyl-(2-hydroxypentadecyl)-dimethylazanium?
ethyl-(2-hydroxypentadecyl)-dimethylazanium has a molecular weight of 300.55 g/mol, XLogP of 5.14, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(2-hydroxypentadecyl)-dimethylazanium is sourced from PubChem (CID 141451685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).