trimethyl(propoxymethyl)azanium

C7H18NO+ — CID 12769745

IUPACtrimethyl(propoxymethyl)azanium
SMILESCCCOC[N+](C)(C)C
InChIInChI=1S/C7H18NO/c1-5-6-9-7-8(2,3)4/h5-7H2,1-4H3/q+1
InChIKeyDFPNMRLGFPCTLC-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.08
Rot. Bonds4

About trimethyl(propoxymethyl)azanium

trimethyl(propoxymethyl)azanium (PubChem CID 12769745) has the molecular formula C7H18NO+ and a molecular weight of 132.23 g/mol. Its IUPAC name is trimethyl(propoxymethyl)azanium.

Molecular Properties

Compound Nametrimethyl(propoxymethyl)azanium
PubChem CID12769745
Molecular FormulaC7H18NO+
Molecular Weight132.23 g/mol
Exact Mass132.14
IUPAC Nametrimethyl(propoxymethyl)azanium
SMILESCCCOC[N+](C)(C)C
InChIInChI=1S/C7H18NO/c1-5-6-9-7-8(2,3)4/h5-7H2,1-4H3/q+1
InChIKeyDFPNMRLGFPCTLC-UHFFFAOYSA-N
XLogP1.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl(propoxymethyl)azanium?
The IUPAC name of trimethyl(propoxymethyl)azanium (CID 12769745) is trimethyl(propoxymethyl)azanium.
What is the SMILES notation for trimethyl(propoxymethyl)azanium?
The canonical SMILES for trimethyl(propoxymethyl)azanium is CCCOC[N+](C)(C)C.
What is the InChIKey of trimethyl(propoxymethyl)azanium?
The InChIKey is DFPNMRLGFPCTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO/c1-5-6-9-7-8(2,3)4/h5-7H2,1-4H3/q+1.
What are the key properties of trimethyl(propoxymethyl)azanium?
trimethyl(propoxymethyl)azanium has a molecular weight of 132.23 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(propoxymethyl)azanium is sourced from PubChem (CID 12769745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).