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

C10H20NO2+ — CID 22340859

IUPACethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OC(C)[N+](C)(C)CC
InChIInChI=1S/C10H20NO2/c1-7-11(5,6)9(4)13-10(12)8(2)3/h9H,2,7H2,1,3-6H3/q+1
InChIKeyPYSHRFUSROLOHX-UHFFFAOYSA-N
MW186.27 g/mol
LogP1.55
Rot. Bonds4

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

ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium (PubChem CID 22340859) has the molecular formula C10H20NO2+ and a molecular weight of 186.27 g/mol. Its IUPAC name is ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium.

Molecular Properties

Compound Nameethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
PubChem CID22340859
Molecular FormulaC10H20NO2+
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Nameethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OC(C)[N+](C)(C)CC
InChIInChI=1S/C10H20NO2/c1-7-11(5,6)9(4)13-10(12)8(2)3/h9H,2,7H2,1,3-6H3/q+1
InChIKeyPYSHRFUSROLOHX-UHFFFAOYSA-N
XLogP1.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.55
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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium?
The IUPAC name of ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium (CID 22340859) is ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium.
What is the SMILES notation for ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium?
The canonical SMILES for ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium is C=C(C)C(=O)OC(C)[N+](C)(C)CC.
What is the InChIKey of ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium?
The InChIKey is PYSHRFUSROLOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO2/c1-7-11(5,6)9(4)13-10(12)8(2)3/h9H,2,7H2,1,3-6H3/q+1.
What are the key properties of ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium?
ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium has a molecular weight of 186.27 g/mol, XLogP of 1.55, 4 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)ethyl]azanium is sourced from PubChem (CID 22340859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).