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

C9H20NO+ — CID 19893189

IUPACtrimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium
SMILESC=C(C)COC(C)[N+](C)(C)C
InChIInChI=1S/C9H20NO/c1-8(2)7-11-9(3)10(4,5)6/h9H,1,7H2,2-6H3/q+1
InChIKeyPCYVDVHDBYRDFC-UHFFFAOYSA-N
MW158.26 g/mol
LogP1.63
Rot. Bonds4

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

trimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium (PubChem CID 19893189) has the molecular formula C9H20NO+ and a molecular weight of 158.26 g/mol. Its IUPAC name is trimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium
PubChem CID19893189
Molecular FormulaC9H20NO+
Molecular Weight158.26 g/mol
Exact Mass158.15
IUPAC Nametrimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium
SMILESC=C(C)COC(C)[N+](C)(C)C
InChIInChI=1S/C9H20NO/c1-8(2)7-11-9(3)10(4,5)6/h9H,1,7H2,2-6H3/q+1
InChIKeyPCYVDVHDBYRDFC-UHFFFAOYSA-N
XLogP1.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.26
LogP ≤ 51.63
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

2-(Tert-butoxymethyl)-n,n-dimethylprop-2-en-1-amine
CID 287994
N,N-Dimethyl-2-[(2-methylprop-2-en-1-yl)oxy]ethan-1-amine
CID 17878359
Trimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium chloride
CID 19893188
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
Dimethyl-bis(1-prop-2-enoxyethyl)azanium
CID 87092032
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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium?
The IUPAC name of trimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium (CID 19893189) is trimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium.
What is the SMILES notation for trimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium?
The canonical SMILES for trimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium is C=C(C)COC(C)[N+](C)(C)C.
What is the InChIKey of trimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium?
The InChIKey is PCYVDVHDBYRDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO/c1-8(2)7-11-9(3)10(4,5)6/h9H,1,7H2,2-6H3/q+1.
What are the key properties of trimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium?
trimethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium has a molecular weight of 158.26 g/mol, XLogP of 1.63, 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 is sourced from PubChem (CID 19893189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).