decyl-(2-ethylbutoxymethyl)-dimethylazanium

C19H42NO+ — CID 10544800

IUPACdecyl-(2-ethylbutoxymethyl)-dimethylazanium
SMILESCCCCCCCCCC[N+](C)(C)COCC(CC)CC
InChIInChI=1S/C19H42NO/c1-6-9-10-11-12-13-14-15-16-20(4,5)18-21-17-19(7-2)8-3/h19H,6-18H2,1-5H3/q+1
InChIKeyPTXBAGFXOWWBTB-UHFFFAOYSA-N
MW300.55 g/mol
LogP5.61
Rot. Bonds15

About decyl-(2-ethylbutoxymethyl)-dimethylazanium

decyl-(2-ethylbutoxymethyl)-dimethylazanium (PubChem CID 10544800) has the molecular formula C19H42NO+ and a molecular weight of 300.55 g/mol. Its IUPAC name is decyl-(2-ethylbutoxymethyl)-dimethylazanium.

Molecular Properties

Compound Namedecyl-(2-ethylbutoxymethyl)-dimethylazanium
PubChem CID10544800
Molecular FormulaC19H42NO+
Molecular Weight300.55 g/mol
Exact Mass300.33
IUPAC Namedecyl-(2-ethylbutoxymethyl)-dimethylazanium
SMILESCCCCCCCCCC[N+](C)(C)COCC(CC)CC
InChIInChI=1S/C19H42NO/c1-6-9-10-11-12-13-14-15-16-20(4,5)18-21-17-19(7-2)8-3/h19H,6-18H2,1-5H3/q+1
InChIKeyPTXBAGFXOWWBTB-UHFFFAOYSA-N
XLogP5.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.55
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dodecyl-(2-ethylpentoxymethyl)-dimethylazanium chloride
CID 10833478
decyl-dimethyl-(2-methylpentoxymethyl)azanium chloride
CID 10640566
butoxymethyl-decyl-dimethylazanium
CID 10494975
decyl-dimethyl-(octoxymethyl)azanium
CID 10406436
dimethyl-octyl-(propoxymethyl)azanium chloride
CID 10825613
dodecyl-dimethyl-(nonoxymethyl)azanium chloride
CID 3025992
1-(2-ethylbutoxy)decane
CID 22002893
6-[dimethyl(nonadecyl)azaniumyl]hexyl-dimethyl-nonadecylazanium
CID 154726413
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819

Frequently Asked Questions

What is the IUPAC name of decyl-(2-ethylbutoxymethyl)-dimethylazanium?
The IUPAC name of decyl-(2-ethylbutoxymethyl)-dimethylazanium (CID 10544800) is decyl-(2-ethylbutoxymethyl)-dimethylazanium.
What is the SMILES notation for decyl-(2-ethylbutoxymethyl)-dimethylazanium?
The canonical SMILES for decyl-(2-ethylbutoxymethyl)-dimethylazanium is CCCCCCCCCC[N+](C)(C)COCC(CC)CC.
What is the InChIKey of decyl-(2-ethylbutoxymethyl)-dimethylazanium?
The InChIKey is PTXBAGFXOWWBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42NO/c1-6-9-10-11-12-13-14-15-16-20(4,5)18-21-17-19(7-2)8-3/h19H,6-18H2,1-5H3/q+1.
What are the key properties of decyl-(2-ethylbutoxymethyl)-dimethylazanium?
decyl-(2-ethylbutoxymethyl)-dimethylazanium has a molecular weight of 300.55 g/mol, XLogP of 5.61, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-(2-ethylbutoxymethyl)-dimethylazanium is sourced from PubChem (CID 10544800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).