dimethyl-(1-phenylethyl)-(2-prop-2-enoyloxyethyl)azanium

C15H22NO2+ — CID 23288489

IUPACdimethyl-(1-phenylethyl)-(2-prop-2-enoyloxyethyl)azanium
SMILESC=CC(=O)OCC[N+](C)(C)C(C)c1ccccc1
InChIInChI=1S/C15H22NO2/c1-5-15(17)18-12-11-16(3,4)13(2)14-9-7-6-8-10-14/h5-10,13H,1,11-12H2,2-4H3/q+1
InChIKeyLSDVPMUBMLUSAK-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.55
Rot. Bonds6

About dimethyl-(1-phenylethyl)-(2-prop-2-enoyloxyethyl)azanium

dimethyl-(1-phenylethyl)-(2-prop-2-enoyloxyethyl)azanium (PubChem CID 23288489) has the molecular formula C15H22NO2+ and a molecular weight of 248.35 g/mol. Its IUPAC name is dimethyl-(1-phenylethyl)-(2-prop-2-enoyloxyethyl)azanium.

Molecular Properties

Compound Namedimethyl-(1-phenylethyl)-(2-prop-2-enoyloxyethyl)azanium
PubChem CID23288489
Molecular FormulaC15H22NO2+
Molecular Weight248.35 g/mol
Exact Mass248.16
IUPAC Namedimethyl-(1-phenylethyl)-(2-prop-2-enoyloxyethyl)azanium
SMILESC=CC(=O)OCC[N+](C)(C)C(C)c1ccccc1
InChIInChI=1S/C15H22NO2/c1-5-15(17)18-12-11-16(3,4)13(2)14-9-7-6-8-10-14/h5-10,13H,1,11-12H2,2-4H3/q+1
InChIKeyLSDVPMUBMLUSAK-UHFFFAOYSA-N
XLogP2.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

benzylphosphanyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium;hydrobromide
CID 174745644
benzyl-diethyl-(2-prop-2-enoyloxyethyl)azanium iodide
CID 142745009
chloromethane;ethyl-dimethyl-[phenyl(prop-2-enoyloxy)methyl]azanium
CID 158829603
(Z)-but-2-enedioic acid;2-hydroxypropyl prop-2-enoate;styrene
CID 159660578
benzyl-dimethyl-(4-prop-2-enoyloxybutyl)azanium iodide
CID 141315122
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
1-phenylethyl prop-2-enoate
CID 175321764
(4-methoxyphenyl)-phenylmethanone;trimethyl(2-prop-2-enoyloxyethyl)azanium;bromide
CID 23037628
2-(4-benzoylphenyl)ethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium bromide
CID 161195215
methyl prop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 174741391
benzyl-ethyl-methyl-(3-prop-2-enoyloxypropyl)azanium iodide
CID 141382703
3-benzhydrylsulfonylpropyl prop-2-enoate
CID 175221844

Frequently Asked Questions

What is the IUPAC name of dimethyl-(1-phenylethyl)-(2-prop-2-enoyloxyethyl)azanium?
The IUPAC name of dimethyl-(1-phenylethyl)-(2-prop-2-enoyloxyethyl)azanium (CID 23288489) is dimethyl-(1-phenylethyl)-(2-prop-2-enoyloxyethyl)azanium.
What is the SMILES notation for dimethyl-(1-phenylethyl)-(2-prop-2-enoyloxyethyl)azanium?
The canonical SMILES for dimethyl-(1-phenylethyl)-(2-prop-2-enoyloxyethyl)azanium is C=CC(=O)OCC[N+](C)(C)C(C)c1ccccc1.
What is the InChIKey of dimethyl-(1-phenylethyl)-(2-prop-2-enoyloxyethyl)azanium?
The InChIKey is LSDVPMUBMLUSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22NO2/c1-5-15(17)18-12-11-16(3,4)13(2)14-9-7-6-8-10-14/h5-10,13H,1,11-12H2,2-4H3/q+1.
What are the key properties of dimethyl-(1-phenylethyl)-(2-prop-2-enoyloxyethyl)azanium?
dimethyl-(1-phenylethyl)-(2-prop-2-enoyloxyethyl)azanium has a molecular weight of 248.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(1-phenylethyl)-(2-prop-2-enoyloxyethyl)azanium is sourced from PubChem (CID 23288489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).