2-prop-2-enoyloxyethyl(tetradecyl)azanium bromide

C19H38BrNO2 — CID 141395388

IUPAC2-prop-2-enoyloxyethyl(tetradecyl)azanium bromide
SMILESC=CC(=O)OCC[NH2+]CCCCCCCCCCCCCC.[Br-]
InChIInChI=1S/C19H37NO2.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-22-19(21)4-2;/h4,20H,2-3,5-18H2,1H3;1H
InChIKeyQGQGLAIYRBMJIC-UHFFFAOYSA-N
MW392.42 g/mol
LogP0.98
Rot. Bonds17

About 2-prop-2-enoyloxyethyl(tetradecyl)azanium bromide

2-prop-2-enoyloxyethyl(tetradecyl)azanium bromide (PubChem CID 141395388) has the molecular formula C19H38BrNO2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-prop-2-enoyloxyethyl(tetradecyl)azanium bromide.

Molecular Properties

Compound Name2-prop-2-enoyloxyethyl(tetradecyl)azanium bromide
PubChem CID141395388
Molecular FormulaC19H38BrNO2
Molecular Weight392.42 g/mol
Exact Mass391.21
IUPAC Name2-prop-2-enoyloxyethyl(tetradecyl)azanium bromide
SMILESC=CC(=O)OCC[NH2+]CCCCCCCCCCCCCC.[Br-]
InChIInChI=1S/C19H37NO2.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-22-19(21)4-2;/h4,20H,2-3,5-18H2,1H3;1H
InChIKeyQGQGLAIYRBMJIC-UHFFFAOYSA-N
XLogP0.98
TPSA42.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

heptyl(2-prop-2-enoyloxyethyl)azanium chloride
CID 141468527
pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716
azane;octyl prop-2-enoate
CID 175482602
1,5-di(prop-2-enoyloxy)pentan-3-yl-dodecylazanium bromide
CID 154701222
octyl prop-2-enoate;prop-2-enoic acid
CID 87340168

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoyloxyethyl(tetradecyl)azanium bromide?
The IUPAC name of 2-prop-2-enoyloxyethyl(tetradecyl)azanium bromide (CID 141395388) is 2-prop-2-enoyloxyethyl(tetradecyl)azanium bromide.
What is the SMILES notation for 2-prop-2-enoyloxyethyl(tetradecyl)azanium bromide?
The canonical SMILES for 2-prop-2-enoyloxyethyl(tetradecyl)azanium bromide is C=CC(=O)OCC[NH2+]CCCCCCCCCCCCCC.[Br-].
What is the InChIKey of 2-prop-2-enoyloxyethyl(tetradecyl)azanium bromide?
The InChIKey is QGQGLAIYRBMJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-22-19(21)4-2;/h4,20H,2-3,5-18H2,1H3;1H.
What are the key properties of 2-prop-2-enoyloxyethyl(tetradecyl)azanium bromide?
2-prop-2-enoyloxyethyl(tetradecyl)azanium bromide has a molecular weight of 392.42 g/mol, XLogP of 0.98, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoyloxyethyl(tetradecyl)azanium bromide is sourced from PubChem (CID 141395388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).