trimethyl-[2-(2-methylprop-2-enoxy)butyl]azanium chloride

C11H24ClNO — CID 87437192

IUPACtrimethyl-[2-(2-methylprop-2-enoxy)butyl]azanium chloride
SMILESC=C(C)COC(CC)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C11H24NO.ClH/c1-7-11(8-12(4,5)6)13-9-10(2)3;/h11H,2,7-9H2,1,3-6H3;1H/q+1;/p-1
InChIKeyRLFFEBLBIPMGDA-UHFFFAOYSA-M
MW221.77 g/mol
LogP-0.93
Rot. Bonds6

About trimethyl-[2-(2-methylprop-2-enoxy)butyl]azanium chloride

trimethyl-[2-(2-methylprop-2-enoxy)butyl]azanium chloride (PubChem CID 87437192) has the molecular formula C11H24ClNO and a molecular weight of 221.77 g/mol. Its IUPAC name is trimethyl-[2-(2-methylprop-2-enoxy)butyl]azanium chloride.

Molecular Properties

Compound Nametrimethyl-[2-(2-methylprop-2-enoxy)butyl]azanium chloride
PubChem CID87437192
Molecular FormulaC11H24ClNO
Molecular Weight221.77 g/mol
Exact Mass221.15
IUPAC Nametrimethyl-[2-(2-methylprop-2-enoxy)butyl]azanium chloride
SMILESC=C(C)COC(CC)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C11H24NO.ClH/c1-7-11(8-12(4,5)6)13-9-10(2)3;/h11H,2,7-9H2,1,3-6H3;1H/q+1;/p-1
InChIKeyRLFFEBLBIPMGDA-UHFFFAOYSA-M
XLogP-0.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.77
LogP ≤ 5-0.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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)butyl]azanium chloride?
The IUPAC name of trimethyl-[2-(2-methylprop-2-enoxy)butyl]azanium chloride (CID 87437192) is trimethyl-[2-(2-methylprop-2-enoxy)butyl]azanium chloride.
What is the SMILES notation for trimethyl-[2-(2-methylprop-2-enoxy)butyl]azanium chloride?
The canonical SMILES for trimethyl-[2-(2-methylprop-2-enoxy)butyl]azanium chloride is C=C(C)COC(CC)C[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl-[2-(2-methylprop-2-enoxy)butyl]azanium chloride?
The InChIKey is RLFFEBLBIPMGDA-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H24NO.ClH/c1-7-11(8-12(4,5)6)13-9-10(2)3;/h11H,2,7-9H2,1,3-6H3;1H/q+1;/p-1.
What are the key properties of trimethyl-[2-(2-methylprop-2-enoxy)butyl]azanium chloride?
trimethyl-[2-(2-methylprop-2-enoxy)butyl]azanium chloride has a molecular weight of 221.77 g/mol, XLogP of -0.93, 6 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)butyl]azanium chloride is sourced from PubChem (CID 87437192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).