ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)propyl]azanium

C11H22NO2+ — CID 87570281

IUPACethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)propyl]azanium
SMILESC=C(C)C(=O)OC(CC)[N+](C)(C)CC
InChIInChI=1S/C11H22NO2/c1-7-10(12(5,6)8-2)14-11(13)9(3)4/h10H,3,7-8H2,1-2,4-6H3/q+1
InChIKeyPPIOHJWABVIHBP-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.94
Rot. Bonds5

About ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)propyl]azanium

ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)propyl]azanium (PubChem CID 87570281) has the molecular formula C11H22NO2+ and a molecular weight of 200.30 g/mol. Its IUPAC name is ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)propyl]azanium.

Molecular Properties

Compound Nameethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)propyl]azanium
PubChem CID87570281
Molecular FormulaC11H22NO2+
Molecular Weight200.30 g/mol
Exact Mass200.16
IUPAC Nameethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)propyl]azanium
SMILESC=C(C)C(=O)OC(CC)[N+](C)(C)CC
InChIInChI=1S/C11H22NO2/c1-7-10(12(5,6)8-2)14-11(13)9(3)4/h10H,3,7-8H2,1-2,4-6H3/q+1
InChIKeyPPIOHJWABVIHBP-UHFFFAOYSA-N
XLogP1.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)propyl]azanium 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-[1-(2-methylprop-2-enoyloxy)hexadecyl]azanium
CID 161228448
bis(diethyl-methyl-[1-(2-methylprop-2-enoyloxy)propyl]azanium);sulfate
CID 174448437
ethane;ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 140517255
[3-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-trimethylazanium
CID 23178940
[2-methyl-1-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 139940333
1-phosphanylpropyl 2-methylprop-2-enoate
CID 155643080
dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-propylazanium bromide
CID 175171875
1-butan-2-ylsulfanylethyl 2-methylprop-2-enoate
CID 175309883
1-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 18552290
propan-2-yl 2-methylprop-2-enoate
CID 146421311
benzyl-dimethyl-[1-(2-methylprop-2-enoyloxy)butyl]azanium bromide
CID 142712837
dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-tetradecylazanium
CID 175070696

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)propyl]azanium?
The IUPAC name of ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)propyl]azanium (CID 87570281) is ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)propyl]azanium.
What is the SMILES notation for ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)propyl]azanium?
The canonical SMILES for ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)propyl]azanium is C=C(C)C(=O)OC(CC)[N+](C)(C)CC.
What is the InChIKey of ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)propyl]azanium?
The InChIKey is PPIOHJWABVIHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO2/c1-7-10(12(5,6)8-2)14-11(13)9(3)4/h10H,3,7-8H2,1-2,4-6H3/q+1.
What are the key properties of ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)propyl]azanium?
ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)propyl]azanium has a molecular weight of 200.30 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)propyl]azanium is sourced from PubChem (CID 87570281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).