dimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium

C11H22NO+ — CID 87219806

IUPACdimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium
SMILESC=CC[N+](C)(C)CCOCC(=C)C
InChIInChI=1S/C11H22NO/c1-6-7-12(4,5)8-9-13-10-11(2)3/h6H,1-2,7-10H2,3-5H3/q+1
InChIKeyJQSTXJGASBPJBC-UHFFFAOYSA-N
MW184.30 g/mol
LogP1.84
Rot. Bonds7

About dimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium

dimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium (PubChem CID 87219806) has the molecular formula C11H22NO+ and a molecular weight of 184.30 g/mol. Its IUPAC name is dimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium.

Molecular Properties

Compound Namedimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium
PubChem CID87219806
Molecular FormulaC11H22NO+
Molecular Weight184.30 g/mol
Exact Mass184.17
IUPAC Namedimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium
SMILESC=CC[N+](C)(C)CCOCC(=C)C
InChIInChI=1S/C11H22NO/c1-6-7-12(4,5)8-9-13-10-11(2)3/h6H,1-2,7-10H2,3-5H3/q+1
InChIKeyJQSTXJGASBPJBC-UHFFFAOYSA-N
XLogP1.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 51.84
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'}

Analyze dimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium?
The IUPAC name of dimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium (CID 87219806) is dimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium.
What is the SMILES notation for dimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium?
The canonical SMILES for dimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium is C=CC[N+](C)(C)CCOCC(=C)C.
What is the InChIKey of dimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium?
The InChIKey is JQSTXJGASBPJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO/c1-6-7-12(4,5)8-9-13-10-11(2)3/h6H,1-2,7-10H2,3-5H3/q+1.
What are the key properties of dimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium?
dimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium has a molecular weight of 184.30 g/mol, XLogP of 1.84, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium is sourced from PubChem (CID 87219806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).