trimethyl-[3-(2-methylprop-2-enoxy)propyl]azanium

C10H22NO+ — CID 88729862

IUPACtrimethyl-[3-(2-methylprop-2-enoxy)propyl]azanium
SMILESC=C(C)COCCC[N+](C)(C)C
InChIInChI=1S/C10H22NO/c1-10(2)9-12-8-6-7-11(3,4)5/h1,6-9H2,2-5H3/q+1
InChIKeyXXMBQHLZZUQBPF-UHFFFAOYSA-N
MW172.29 g/mol
LogP1.68
Rot. Bonds6

About trimethyl-[3-(2-methylprop-2-enoxy)propyl]azanium

trimethyl-[3-(2-methylprop-2-enoxy)propyl]azanium (PubChem CID 88729862) has the molecular formula C10H22NO+ and a molecular weight of 172.29 g/mol. Its IUPAC name is trimethyl-[3-(2-methylprop-2-enoxy)propyl]azanium.

Molecular Properties

Compound Nametrimethyl-[3-(2-methylprop-2-enoxy)propyl]azanium
PubChem CID88729862
Molecular FormulaC10H22NO+
Molecular Weight172.29 g/mol
Exact Mass172.17
IUPAC Nametrimethyl-[3-(2-methylprop-2-enoxy)propyl]azanium
SMILESC=C(C)COCCC[N+](C)(C)C
InChIInChI=1S/C10H22NO/c1-10(2)9-12-8-6-7-11(3,4)5/h1,6-9H2,2-5H3/q+1
InChIKeyXXMBQHLZZUQBPF-UHFFFAOYSA-N
XLogP1.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 51.68
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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Related Compounds

CID 59269543
CID 59269543
4-(2-methylprop-2-enoxy)butanoic acid
CID 10103402
1-[2-(2-methylprop-2-enoxy)ethoxy]butane
CID 87922728
1-(2-methylprop-2-enoxy)dodecane
CID 156690078
trichloro-[3-(2-methylprop-2-enoxy)propyl]silane
CID 20563726
3-(2-hydroxyprop-2-enylperoxy)propyl-trimethylazanium chloride
CID 174370633
dimethoxy-[3-(2-methylprop-2-enoxy)propyl]silane
CID 173004132
2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 12693581
2-methyl-3-(2-methylprop-2-enoxymethoxy)prop-1-ene
CID 10942706
4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine
CID 166111983
2-hydroxypropyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium acetate
CID 88777327
2-methylprop-1-ene;trimethyl-[3-(pentylamino)oxypropyl]azanium;chloride
CID 175372771

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-(2-methylprop-2-enoxy)propyl]azanium?
The IUPAC name of trimethyl-[3-(2-methylprop-2-enoxy)propyl]azanium (CID 88729862) is trimethyl-[3-(2-methylprop-2-enoxy)propyl]azanium.
What is the SMILES notation for trimethyl-[3-(2-methylprop-2-enoxy)propyl]azanium?
The canonical SMILES for trimethyl-[3-(2-methylprop-2-enoxy)propyl]azanium is C=C(C)COCCC[N+](C)(C)C.
What is the InChIKey of trimethyl-[3-(2-methylprop-2-enoxy)propyl]azanium?
The InChIKey is XXMBQHLZZUQBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO/c1-10(2)9-12-8-6-7-11(3,4)5/h1,6-9H2,2-5H3/q+1.
What are the key properties of trimethyl-[3-(2-methylprop-2-enoxy)propyl]azanium?
trimethyl-[3-(2-methylprop-2-enoxy)propyl]azanium has a molecular weight of 172.29 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-(2-methylprop-2-enoxy)propyl]azanium is sourced from PubChem (CID 88729862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).