[4-[[dimethyl(2-prop-2-enoyloxyethyl)azaniumyl]methyl]phenyl]methyl-ethyl-dimethylazanium

C19H32N2O2+2 — CID 18413289

IUPAC[4-[[dimethyl(2-prop-2-enoyloxyethyl)azaniumyl]methyl]phenyl]methyl-ethyl-dimethylazanium
SMILESC=CC(=O)OCC[N+](C)(C)Cc1ccc(C[N+](C)(C)CC)cc1
InChIInChI=1S/C19H32N2O2/c1-7-19(22)23-14-13-21(5,6)16-18-11-9-17(10-12-18)15-20(3,4)8-2/h7,9-12H,1,8,13-16H2,2-6H3/q+2
InChIKeyRLZMJEZVUIHSOG-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.59
Rot. Bonds9

About [4-[[dimethyl(2-prop-2-enoyloxyethyl)azaniumyl]methyl]phenyl]methyl-ethyl-dimethylazanium

[4-[[dimethyl(2-prop-2-enoyloxyethyl)azaniumyl]methyl]phenyl]methyl-ethyl-dimethylazanium (PubChem CID 18413289) has the molecular formula C19H32N2O2+2 and a molecular weight of 320.48 g/mol. Its IUPAC name is [4-[[dimethyl(2-prop-2-enoyloxyethyl)azaniumyl]methyl]phenyl]methyl-ethyl-dimethylazanium.

Molecular Properties

Compound Name[4-[[dimethyl(2-prop-2-enoyloxyethyl)azaniumyl]methyl]phenyl]methyl-ethyl-dimethylazanium
PubChem CID18413289
Molecular FormulaC19H32N2O2+2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name[4-[[dimethyl(2-prop-2-enoyloxyethyl)azaniumyl]methyl]phenyl]methyl-ethyl-dimethylazanium
SMILESC=CC(=O)OCC[N+](C)(C)Cc1ccc(C[N+](C)(C)CC)cc1
InChIInChI=1S/C19H32N2O2/c1-7-19(22)23-14-13-21(5,6)16-18-11-9-17(10-12-18)15-20(3,4)8-2/h7,9-12H,1,8,13-16H2,2-6H3/q+2
InChIKeyRLZMJEZVUIHSOG-UHFFFAOYSA-N
XLogP2.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.59
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'}

Analyze [4-[[dimethyl(2-prop-2-enoyloxyethyl)azaniumyl]methyl]phenyl]methyl-ethyl-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium iodide
CID 86070106
[4-(4-methoxybenzoyl)phenyl]methyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium bromide
CID 86744146
(4-chlorophenyl)methyl-ethyl-methyl-(2-prop-2-enoyloxyethyl)azanium
CID 141131620
bis((4-benzoylphenyl)methyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium);prop-2-enoate;bromide
CID 143427879
benzyl-dimethyl-(4-prop-2-enoyloxybutyl)azanium iodide
CID 141315122
benzyl-diethyl-(2-prop-2-enoyloxyethyl)azanium iodide
CID 142745009
(3-benzoylphenyl)methyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium
CID 23037627
benzyl-ethyl-methyl-(3-prop-2-enoyloxypropyl)azanium iodide
CID 141382703
2-(4-benzoylphenyl)ethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium bromide
CID 161195215
(3-chlorophenyl)methyl-ethyl-methyl-(2-prop-2-enoyloxyethyl)azanium
CID 141131616
decyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium
CID 45270101
diethyl-methyl-(4-prop-2-enoyloxybutyl)azanium
CID 54323618

Frequently Asked Questions

What is the IUPAC name of [4-[[dimethyl(2-prop-2-enoyloxyethyl)azaniumyl]methyl]phenyl]methyl-ethyl-dimethylazanium?
The IUPAC name of [4-[[dimethyl(2-prop-2-enoyloxyethyl)azaniumyl]methyl]phenyl]methyl-ethyl-dimethylazanium (CID 18413289) is [4-[[dimethyl(2-prop-2-enoyloxyethyl)azaniumyl]methyl]phenyl]methyl-ethyl-dimethylazanium.
What is the SMILES notation for [4-[[dimethyl(2-prop-2-enoyloxyethyl)azaniumyl]methyl]phenyl]methyl-ethyl-dimethylazanium?
The canonical SMILES for [4-[[dimethyl(2-prop-2-enoyloxyethyl)azaniumyl]methyl]phenyl]methyl-ethyl-dimethylazanium is C=CC(=O)OCC[N+](C)(C)Cc1ccc(C[N+](C)(C)CC)cc1.
What is the InChIKey of [4-[[dimethyl(2-prop-2-enoyloxyethyl)azaniumyl]methyl]phenyl]methyl-ethyl-dimethylazanium?
The InChIKey is RLZMJEZVUIHSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-7-19(22)23-14-13-21(5,6)16-18-11-9-17(10-12-18)15-20(3,4)8-2/h7,9-12H,1,8,13-16H2,2-6H3/q+2.
What are the key properties of [4-[[dimethyl(2-prop-2-enoyloxyethyl)azaniumyl]methyl]phenyl]methyl-ethyl-dimethylazanium?
[4-[[dimethyl(2-prop-2-enoyloxyethyl)azaniumyl]methyl]phenyl]methyl-ethyl-dimethylazanium has a molecular weight of 320.48 g/mol, XLogP of 2.59, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[dimethyl(2-prop-2-enoyloxyethyl)azaniumyl]methyl]phenyl]methyl-ethyl-dimethylazanium is sourced from PubChem (CID 18413289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).