oxolane;trimethyl(propyl)azanium

C10H24NO+ — CID 161281030

IUPACoxolane;trimethyl(propyl)azanium
SMILESC1CCOC1.CCC[N+](C)(C)C
InChIInChI=1S/C6H16N.C4H8O/c1-5-6-7(2,3)4;1-2-4-5-3-1/h5-6H2,1-4H3;1-4H2/q+1;
InChIKeyVFBYONAULIDGJR-UHFFFAOYSA-N
MW174.31 g/mol
LogP1.90
Rot. Bonds2

About oxolane;trimethyl(propyl)azanium

oxolane;trimethyl(propyl)azanium (PubChem CID 161281030) has the molecular formula C10H24NO+ and a molecular weight of 174.31 g/mol. Its IUPAC name is oxolane;trimethyl(propyl)azanium.

Molecular Properties

Compound Nameoxolane;trimethyl(propyl)azanium
PubChem CID161281030
Molecular FormulaC10H24NO+
Molecular Weight174.31 g/mol
Exact Mass174.19
IUPAC Nameoxolane;trimethyl(propyl)azanium
SMILESC1CCOC1.CCC[N+](C)(C)C
InChIInChI=1S/C6H16N.C4H8O/c1-5-6-7(2,3)4;1-2-4-5-3-1/h5-6H2,1-4H3;1-4H2/q+1;
InChIKeyVFBYONAULIDGJR-UHFFFAOYSA-N
XLogP1.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 51.90
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 oxolane;trimethyl(propyl)azanium?
The IUPAC name of oxolane;trimethyl(propyl)azanium (CID 161281030) is oxolane;trimethyl(propyl)azanium.
What is the SMILES notation for oxolane;trimethyl(propyl)azanium?
The canonical SMILES for oxolane;trimethyl(propyl)azanium is C1CCOC1.CCC[N+](C)(C)C.
What is the InChIKey of oxolane;trimethyl(propyl)azanium?
The InChIKey is VFBYONAULIDGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N.C4H8O/c1-5-6-7(2,3)4;1-2-4-5-3-1/h5-6H2,1-4H3;1-4H2/q+1;.
What are the key properties of oxolane;trimethyl(propyl)azanium?
oxolane;trimethyl(propyl)azanium has a molecular weight of 174.31 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;trimethyl(propyl)azanium is sourced from PubChem (CID 161281030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).