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

C14H28NO2+ — CID 10354399

IUPACtriethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium
SMILESC=C(C)C(=O)OCCCC[N+](CC)(CC)CC
InChIInChI=1S/C14H28NO2/c1-6-15(7-2,8-3)11-9-10-12-17-14(16)13(4)5/h4,6-12H2,1-3,5H3/q+1
InChIKeyZUVPMATVNYWSBT-UHFFFAOYSA-N
MW242.38 g/mol
LogP2.76
Rot. Bonds9

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

triethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium (PubChem CID 10354399) has the molecular formula C14H28NO2+ and a molecular weight of 242.38 g/mol. Its IUPAC name is triethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium.

Molecular Properties

Compound Nametriethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium
PubChem CID10354399
Molecular FormulaC14H28NO2+
Molecular Weight242.38 g/mol
Exact Mass242.21
IUPAC Nametriethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium
SMILESC=C(C)C(=O)OCCCC[N+](CC)(CC)CC
InChIInChI=1S/C14H28NO2/c1-6-15(7-2,8-3)11-9-10-12-17-14(16)13(4)5/h4,6-12H2,1-3,5H3/q+1
InChIKeyZUVPMATVNYWSBT-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 52.76
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 triethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium?
The IUPAC name of triethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium (CID 10354399) is triethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium.
What is the SMILES notation for triethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium?
The canonical SMILES for triethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium is C=C(C)C(=O)OCCCC[N+](CC)(CC)CC.
What is the InChIKey of triethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium?
The InChIKey is ZUVPMATVNYWSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28NO2/c1-6-15(7-2,8-3)11-9-10-12-17-14(16)13(4)5/h4,6-12H2,1-3,5H3/q+1.
What are the key properties of triethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium?
triethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium has a molecular weight of 242.38 g/mol, XLogP of 2.76, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium is sourced from PubChem (CID 10354399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).