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

C11H22ClNO — CID 88804621

IUPACdimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium chloride
SMILESC=CC[N+](C)(C)CCOCC(=C)C.[Cl-]
InChIInChI=1S/C11H22NO.ClH/c1-6-7-12(4,5)8-9-13-10-11(2)3;/h6H,1-2,7-10H2,3-5H3;1H/q+1;/p-1
InChIKeySWJJJGLINRKESJ-UHFFFAOYSA-M
MW219.76 g/mol
LogP-1.15
Rot. Bonds7

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

dimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium chloride (PubChem CID 88804621) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is dimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium chloride.

Molecular Properties

Compound Namedimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium chloride
PubChem CID88804621
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Namedimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium chloride
SMILESC=CC[N+](C)(C)CCOCC(=C)C.[Cl-]
InChIInChI=1S/C11H22NO.ClH/c1-6-7-12(4,5)8-9-13-10-11(2)3;/h6H,1-2,7-10H2,3-5H3;1H/q+1;/p-1
InChIKeySWJJJGLINRKESJ-UHFFFAOYSA-M
XLogP-1.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 5-1.15
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 dimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium chloride?
The IUPAC name of dimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium chloride (CID 88804621) is dimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium chloride.
What is the SMILES notation for dimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium chloride?
The canonical SMILES for dimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium chloride is C=CC[N+](C)(C)CCOCC(=C)C.[Cl-].
What is the InChIKey of dimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium chloride?
The InChIKey is SWJJJGLINRKESJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H22NO.ClH/c1-6-7-12(4,5)8-9-13-10-11(2)3;/h6H,1-2,7-10H2,3-5H3;1H/q+1;/p-1.
What are the key properties of dimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium chloride?
dimethyl-[2-(2-methylprop-2-enoxy)ethyl]-prop-2-enylazanium chloride has a molecular weight of 219.76 g/mol, XLogP of -1.15, 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 chloride is sourced from PubChem (CID 88804621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).