diethylamino-methylimino-oxidoazanium

C5H13N3O — CID 159758603

IUPACdiethylamino-methylimino-oxidoazanium
SMILESCCN(CC)/[N+]([O-])=N/C
InChIInChI=1S/C5H13N3O/c1-4-7(5-2)8(9)6-3/h4-5H2,1-3H3/b8-6-
InChIKeyBWUBVSFLZUJVTA-VURMDHGXSA-N
MW131.18 g/mol
LogP0.84
Rot. Bonds3

About diethylamino-methylimino-oxidoazanium

diethylamino-methylimino-oxidoazanium (PubChem CID 159758603) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is diethylamino-methylimino-oxidoazanium.

Molecular Properties

Compound Namediethylamino-methylimino-oxidoazanium
PubChem CID159758603
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC Namediethylamino-methylimino-oxidoazanium
SMILESCCN(CC)/[N+]([O-])=N/C
InChIInChI=1S/C5H13N3O/c1-4-7(5-2)8(9)6-3/h4-5H2,1-3H3/b8-6-
InChIKeyBWUBVSFLZUJVTA-VURMDHGXSA-N
XLogP0.84
TPSA41.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethylamino-methylimino-oxidoazanium?
The IUPAC name of diethylamino-methylimino-oxidoazanium (CID 159758603) is diethylamino-methylimino-oxidoazanium.
What is the SMILES notation for diethylamino-methylimino-oxidoazanium?
The canonical SMILES for diethylamino-methylimino-oxidoazanium is CCN(CC)/[N+]([O-])=N/C.
What is the InChIKey of diethylamino-methylimino-oxidoazanium?
The InChIKey is BWUBVSFLZUJVTA-VURMDHGXSA-N. The full InChI is InChI=1S/C5H13N3O/c1-4-7(5-2)8(9)6-3/h4-5H2,1-3H3/b8-6-.
What are the key properties of diethylamino-methylimino-oxidoazanium?
diethylamino-methylimino-oxidoazanium has a molecular weight of 131.18 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethylamino-methylimino-oxidoazanium is sourced from PubChem (CID 159758603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).