oxo(dipropoxy)azanium

C6H14NO3+ — CID 57000422

IUPACoxo(dipropoxy)azanium
SMILESCCCO[N+](=O)OCCC
InChIInChI=1S/C6H14NO3/c1-3-5-9-7(8)10-6-4-2/h3-6H2,1-2H3/q+1
InChIKeyONGMFZOVXUCDDL-UHFFFAOYSA-N
MW148.18 g/mol
LogP1.45
Rot. Bonds6

About oxo(dipropoxy)azanium

oxo(dipropoxy)azanium (PubChem CID 57000422) has the molecular formula C6H14NO3+ and a molecular weight of 148.18 g/mol. Its IUPAC name is oxo(dipropoxy)azanium.

Molecular Properties

Compound Nameoxo(dipropoxy)azanium
PubChem CID57000422
Molecular FormulaC6H14NO3+
Molecular Weight148.18 g/mol
Exact Mass148.10
IUPAC Nameoxo(dipropoxy)azanium
SMILESCCCO[N+](=O)OCCC
InChIInChI=1S/C6H14NO3/c1-3-5-9-7(8)10-6-4-2/h3-6H2,1-2H3/q+1
InChIKeyONGMFZOVXUCDDL-UHFFFAOYSA-N
XLogP1.45
TPSA38.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxo(dipropoxy)azanium?
The IUPAC name of oxo(dipropoxy)azanium (CID 57000422) is oxo(dipropoxy)azanium.
What is the SMILES notation for oxo(dipropoxy)azanium?
The canonical SMILES for oxo(dipropoxy)azanium is CCCO[N+](=O)OCCC.
What is the InChIKey of oxo(dipropoxy)azanium?
The InChIKey is ONGMFZOVXUCDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO3/c1-3-5-9-7(8)10-6-4-2/h3-6H2,1-2H3/q+1.
What are the key properties of oxo(dipropoxy)azanium?
oxo(dipropoxy)azanium has a molecular weight of 148.18 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo(dipropoxy)azanium is sourced from PubChem (CID 57000422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).