triethyl-[2-(2-methylprop-2-enoxy)butyl]azanium chloride

C14H30ClNO — CID 87438028

IUPACtriethyl-[2-(2-methylprop-2-enoxy)butyl]azanium chloride
SMILESC=C(C)COC(CC)C[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C14H30NO.ClH/c1-7-14(16-12-13(5)6)11-15(8-2,9-3)10-4;/h14H,5,7-12H2,1-4,6H3;1H/q+1;/p-1
InChIKeyRYHDRENLLYBFSX-UHFFFAOYSA-M
MW263.85 g/mol
LogP0.24
Rot. Bonds9

About triethyl-[2-(2-methylprop-2-enoxy)butyl]azanium chloride

triethyl-[2-(2-methylprop-2-enoxy)butyl]azanium chloride (PubChem CID 87438028) has the molecular formula C14H30ClNO and a molecular weight of 263.85 g/mol. Its IUPAC name is triethyl-[2-(2-methylprop-2-enoxy)butyl]azanium chloride.

Molecular Properties

Compound Nametriethyl-[2-(2-methylprop-2-enoxy)butyl]azanium chloride
PubChem CID87438028
Molecular FormulaC14H30ClNO
Molecular Weight263.85 g/mol
Exact Mass263.20
IUPAC Nametriethyl-[2-(2-methylprop-2-enoxy)butyl]azanium chloride
SMILESC=C(C)COC(CC)C[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C14H30NO.ClH/c1-7-14(16-12-13(5)6)11-15(8-2,9-3)10-4;/h14H,5,7-12H2,1-4,6H3;1H/q+1;/p-1
InChIKeyRYHDRENLLYBFSX-UHFFFAOYSA-M
XLogP0.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.85
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-[2-(2-methylprop-2-enoxy)butyl]azanium chloride?
The IUPAC name of triethyl-[2-(2-methylprop-2-enoxy)butyl]azanium chloride (CID 87438028) is triethyl-[2-(2-methylprop-2-enoxy)butyl]azanium chloride.
What is the SMILES notation for triethyl-[2-(2-methylprop-2-enoxy)butyl]azanium chloride?
The canonical SMILES for triethyl-[2-(2-methylprop-2-enoxy)butyl]azanium chloride is C=C(C)COC(CC)C[N+](CC)(CC)CC.[Cl-].
What is the InChIKey of triethyl-[2-(2-methylprop-2-enoxy)butyl]azanium chloride?
The InChIKey is RYHDRENLLYBFSX-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H30NO.ClH/c1-7-14(16-12-13(5)6)11-15(8-2,9-3)10-4;/h14H,5,7-12H2,1-4,6H3;1H/q+1;/p-1.
What are the key properties of triethyl-[2-(2-methylprop-2-enoxy)butyl]azanium chloride?
triethyl-[2-(2-methylprop-2-enoxy)butyl]azanium chloride has a molecular weight of 263.85 g/mol, XLogP of 0.24, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-(2-methylprop-2-enoxy)butyl]azanium chloride is sourced from PubChem (CID 87438028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).