butyl(triethyl)azanium;2H-pyran

C15H30NO+ — CID 158370510

IUPACbutyl(triethyl)azanium;2H-pyran
SMILESC1=CCOC=C1.CCCC[N+](CC)(CC)CC
InChIInChI=1S/C10H24N.C5H6O/c1-5-9-10-11(6-2,7-3)8-4;1-2-4-6-5-3-1/h5-10H2,1-4H3;1-4H,5H2/q+1;
InChIKeyGUNZHKHWYKPKFN-UHFFFAOYSA-N
MW240.41 g/mol
LogP3.75
Rot. Bonds6

About butyl(triethyl)azanium;2H-pyran

butyl(triethyl)azanium;2H-pyran (PubChem CID 158370510) has the molecular formula C15H30NO+ and a molecular weight of 240.41 g/mol. Its IUPAC name is butyl(triethyl)azanium;2H-pyran.

Molecular Properties

Compound Namebutyl(triethyl)azanium;2H-pyran
PubChem CID158370510
Molecular FormulaC15H30NO+
Molecular Weight240.41 g/mol
Exact Mass240.23
IUPAC Namebutyl(triethyl)azanium;2H-pyran
SMILESC1=CCOC=C1.CCCC[N+](CC)(CC)CC
InChIInChI=1S/C10H24N.C5H6O/c1-5-9-10-11(6-2,7-3)8-4;1-2-4-6-5-3-1/h5-10H2,1-4H3;1-4H,5H2/q+1;
InChIKeyGUNZHKHWYKPKFN-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl(triethyl)azanium;2H-pyran?
The IUPAC name of butyl(triethyl)azanium;2H-pyran (CID 158370510) is butyl(triethyl)azanium;2H-pyran.
What is the SMILES notation for butyl(triethyl)azanium;2H-pyran?
The canonical SMILES for butyl(triethyl)azanium;2H-pyran is C1=CCOC=C1.CCCC[N+](CC)(CC)CC.
What is the InChIKey of butyl(triethyl)azanium;2H-pyran?
The InChIKey is GUNZHKHWYKPKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N.C5H6O/c1-5-9-10-11(6-2,7-3)8-4;1-2-4-6-5-3-1/h5-10H2,1-4H3;1-4H,5H2/q+1;.
What are the key properties of butyl(triethyl)azanium;2H-pyran?
butyl(triethyl)azanium;2H-pyran has a molecular weight of 240.41 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(triethyl)azanium;2H-pyran is sourced from PubChem (CID 158370510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).