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

C8H16NO2+ — CID 6992614

IUPACdimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OCC[NH+](C)C
InChIInChI=1S/C8H15NO2/c1-7(2)8(10)11-6-5-9(3)4/h1,5-6H2,2-4H3/p+1
InChIKeyJKNCOURZONDCGV-UHFFFAOYSA-O
MW158.22 g/mol
LogP-0.75
Rot. Bonds4

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

dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium (PubChem CID 6992614) has the molecular formula C8H16NO2+ and a molecular weight of 158.22 g/mol. Its IUPAC name is dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
PubChem CID6992614
Molecular FormulaC8H16NO2+
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Namedimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OCC[NH+](C)C
InChIInChI=1S/C8H15NO2/c1-7(2)8(10)11-6-5-9(3)4/h1,5-6H2,2-4H3/p+1
InChIKeyJKNCOURZONDCGV-UHFFFAOYSA-O
XLogP-0.75
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The IUPAC name of dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium (CID 6992614) is dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium.
What is the SMILES notation for dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The canonical SMILES for dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium is C=C(C)C(=O)OCC[NH+](C)C.
What is the InChIKey of dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The InChIKey is JKNCOURZONDCGV-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15NO2/c1-7(2)8(10)11-6-5-9(3)4/h1,5-6H2,2-4H3/p+1.
What are the key properties of dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium has a molecular weight of 158.22 g/mol, XLogP of -0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium is sourced from PubChem (CID 6992614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).