oxido-propoxy-propyliminoazanium

C6H14N2O2 — CID 119098054

IUPACoxido-propoxy-propyliminoazanium
SMILESCCC/N=[N+](\[O-])OCCC
InChIInChI=1S/C6H14N2O2/c1-3-5-7-8(9)10-6-4-2/h3-6H2,1-2H3/b8-7+
InChIKeyTXJTUCRYRSSRMM-BQYQJAHWSA-N
MW146.19 g/mol
LogP1.70
Rot. Bonds5

About oxido-propoxy-propyliminoazanium

oxido-propoxy-propyliminoazanium (PubChem CID 119098054) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is oxido-propoxy-propyliminoazanium.

Molecular Properties

Compound Nameoxido-propoxy-propyliminoazanium
PubChem CID119098054
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Nameoxido-propoxy-propyliminoazanium
SMILESCCC/N=[N+](\[O-])OCCC
InChIInChI=1S/C6H14N2O2/c1-3-5-7-8(9)10-6-4-2/h3-6H2,1-2H3/b8-7+
InChIKeyTXJTUCRYRSSRMM-BQYQJAHWSA-N
XLogP1.70
TPSA47.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxido-propoxy-propyliminoazanium?
The IUPAC name of oxido-propoxy-propyliminoazanium (CID 119098054) is oxido-propoxy-propyliminoazanium.
What is the SMILES notation for oxido-propoxy-propyliminoazanium?
The canonical SMILES for oxido-propoxy-propyliminoazanium is CCC/N=[N+](\[O-])OCCC.
What is the InChIKey of oxido-propoxy-propyliminoazanium?
The InChIKey is TXJTUCRYRSSRMM-BQYQJAHWSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-3-5-7-8(9)10-6-4-2/h3-6H2,1-2H3/b8-7+.
What are the key properties of oxido-propoxy-propyliminoazanium?
oxido-propoxy-propyliminoazanium has a molecular weight of 146.19 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxido-propoxy-propyliminoazanium is sourced from PubChem (CID 119098054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).