2H-pyran;triethyl(propyl)azanium

C14H28NO+ — CID 160704191

IUPAC2H-pyran;triethyl(propyl)azanium
SMILESC1=CCOC=C1.CCC[N+](CC)(CC)CC
InChIInChI=1S/C9H22N.C5H6O/c1-5-9-10(6-2,7-3)8-4;1-2-4-6-5-3-1/h5-9H2,1-4H3;1-4H,5H2/q+1;
InChIKeyRQZUXCNKIBOWSX-UHFFFAOYSA-N
MW226.38 g/mol
LogP3.36
Rot. Bonds5

About 2H-pyran;triethyl(propyl)azanium

2H-pyran;triethyl(propyl)azanium (PubChem CID 160704191) has the molecular formula C14H28NO+ and a molecular weight of 226.38 g/mol. Its IUPAC name is 2H-pyran;triethyl(propyl)azanium.

Molecular Properties

Compound Name2H-pyran;triethyl(propyl)azanium
PubChem CID160704191
Molecular FormulaC14H28NO+
Molecular Weight226.38 g/mol
Exact Mass226.22
IUPAC Name2H-pyran;triethyl(propyl)azanium
SMILESC1=CCOC=C1.CCC[N+](CC)(CC)CC
InChIInChI=1S/C9H22N.C5H6O/c1-5-9-10(6-2,7-3)8-4;1-2-4-6-5-3-1/h5-9H2,1-4H3;1-4H,5H2/q+1;
InChIKeyRQZUXCNKIBOWSX-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.38
LogP ≤ 53.36
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 2H-pyran;triethyl(propyl)azanium?
The IUPAC name of 2H-pyran;triethyl(propyl)azanium (CID 160704191) is 2H-pyran;triethyl(propyl)azanium.
What is the SMILES notation for 2H-pyran;triethyl(propyl)azanium?
The canonical SMILES for 2H-pyran;triethyl(propyl)azanium is C1=CCOC=C1.CCC[N+](CC)(CC)CC.
What is the InChIKey of 2H-pyran;triethyl(propyl)azanium?
The InChIKey is RQZUXCNKIBOWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N.C5H6O/c1-5-9-10(6-2,7-3)8-4;1-2-4-6-5-3-1/h5-9H2,1-4H3;1-4H,5H2/q+1;.
What are the key properties of 2H-pyran;triethyl(propyl)azanium?
2H-pyran;triethyl(propyl)azanium has a molecular weight of 226.38 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyran;triethyl(propyl)azanium is sourced from PubChem (CID 160704191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).