trimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium chloride

C9H20ClNO — CID 19893188

IUPACtrimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium chloride
SMILESC=C(C)COC(C)[N+](C)(C)C.[Cl-]
InChIInChI=1S/C9H20NO.ClH/c1-8(2)7-11-9(3)10(4,5)6;/h9H,1,7H2,2-6H3;1H/q+1;/p-1
InChIKeyIBTAXFQLMYOKFC-UHFFFAOYSA-M
MW193.72 g/mol
LogP-1.36
Rot. Bonds4

About trimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium chloride

trimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium chloride (PubChem CID 19893188) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is trimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium chloride.

Molecular Properties

Compound Nametrimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium chloride
PubChem CID19893188
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Nametrimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium chloride
SMILESC=C(C)COC(C)[N+](C)(C)C.[Cl-]
InChIInChI=1S/C9H20NO.ClH/c1-8(2)7-11-9(3)10(4,5)6;/h9H,1,7H2,2-6H3;1H/q+1;/p-1
InChIKeyIBTAXFQLMYOKFC-UHFFFAOYSA-M
XLogP-1.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 5-1.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N,N-Dimethyl-2-[(2-methylprop-2-en-1-yl)oxy]ethan-1-amine
CID 17878359
Trimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium
CID 19893189
Tributyl-[1-(2-methylprop-2-enoxy)ethyl]azanium
CID 20218232
Trimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
CID 22770234
N-methyl-1-(2-methylprop-2-enoxy)-N-[1-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 23207125
N,N-dimethyl-1-(2-methylprop-2-enoxy)ethanamine
CID 23217879
Trimethyl(1-prop-2-enoxypropyl)azanium
CID 87064813
Trimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium bromide
CID 87097382
Trimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium chloride
CID 87097449
Triethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium
CID 87191571
Diethyl-methyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
CID 87264679
Ethyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
CID 87264784

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium chloride?
The IUPAC name of trimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium chloride (CID 19893188) is trimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium chloride.
What is the SMILES notation for trimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium chloride?
The canonical SMILES for trimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium chloride is C=C(C)COC(C)[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium chloride?
The InChIKey is IBTAXFQLMYOKFC-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20NO.ClH/c1-8(2)7-11-9(3)10(4,5)6;/h9H,1,7H2,2-6H3;1H/q+1;/p-1.
What are the key properties of trimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium chloride?
trimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium chloride has a molecular weight of 193.72 g/mol, XLogP of -1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium chloride is sourced from PubChem (CID 19893188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).