trimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium

C9H20NO+ — CID 22770234

IUPACtrimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
SMILESC=C(C)COCC[N+](C)(C)C
InChIInChI=1S/C9H20NO/c1-9(2)8-11-7-6-10(3,4)5/h1,6-8H2,2-5H3/q+1
InChIKeyADDIFQDXMUSAQJ-UHFFFAOYSA-N
MW158.26 g/mol
LogP1.29
Rot. Bonds5

About trimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium

trimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium (PubChem CID 22770234) has the molecular formula C9H20NO+ and a molecular weight of 158.26 g/mol. Its IUPAC name is trimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
PubChem CID22770234
Molecular FormulaC9H20NO+
Molecular Weight158.26 g/mol
Exact Mass158.15
IUPAC Nametrimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
SMILESC=C(C)COCC[N+](C)(C)C
InChIInChI=1S/C9H20NO/c1-9(2)8-11-7-6-10(3,4)5/h1,6-8H2,2-5H3/q+1
InChIKeyADDIFQDXMUSAQJ-UHFFFAOYSA-N
XLogP1.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.26
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium?
The IUPAC name of trimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium (CID 22770234) is trimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium.
What is the SMILES notation for trimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium?
The canonical SMILES for trimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium is C=C(C)COCC[N+](C)(C)C.
What is the InChIKey of trimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium?
The InChIKey is ADDIFQDXMUSAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO/c1-9(2)8-11-7-6-10(3,4)5/h1,6-8H2,2-5H3/q+1.
What are the key properties of trimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium?
trimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium has a molecular weight of 158.26 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium is sourced from PubChem (CID 22770234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).