trimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium

C11H22NO2+ — CID 10081514

IUPACtrimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium
SMILESC=C(C)C(=O)OCCCC[N+](C)(C)C
InChIInChI=1S/C11H22NO2/c1-10(2)11(13)14-9-7-6-8-12(3,4)5/h1,6-9H2,2-5H3/q+1
InChIKeyCCOFJZCCFGTMOZ-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.59
Rot. Bonds6

About trimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium

trimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium (PubChem CID 10081514) has the molecular formula C11H22NO2+ and a molecular weight of 200.30 g/mol. Its IUPAC name is trimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium.

Molecular Properties

Compound Nametrimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium
PubChem CID10081514
Molecular FormulaC11H22NO2+
Molecular Weight200.30 g/mol
Exact Mass200.16
IUPAC Nametrimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium
SMILESC=C(C)C(=O)OCCCC[N+](C)(C)C
InChIInChI=1S/C11H22NO2/c1-10(2)11(13)14-9-7-6-8-12(3,4)5/h1,6-9H2,2-5H3/q+1
InChIKeyCCOFJZCCFGTMOZ-UHFFFAOYSA-N
XLogP1.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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-[4-(2-methylprop-2-enoyloxy)butyl]azanium?
The IUPAC name of trimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium (CID 10081514) is trimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium.
What is the SMILES notation for trimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium?
The canonical SMILES for trimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium is C=C(C)C(=O)OCCCC[N+](C)(C)C.
What is the InChIKey of trimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium?
The InChIKey is CCOFJZCCFGTMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO2/c1-10(2)11(13)14-9-7-6-8-12(3,4)5/h1,6-9H2,2-5H3/q+1.
What are the key properties of trimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium?
trimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium has a molecular weight of 200.30 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium is sourced from PubChem (CID 10081514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).