cyanoiminomethylideneazanide;4-ethyl-4-methylmorpholin-4-ium

C9H16N4O — CID 133083950

IUPACcyanoiminomethylideneazanide;4-ethyl-4-methylmorpholin-4-ium
SMILESCC[N+]1(C)CCOCC1.N#CN=C=[N-]
InChIInChI=1S/C7H16NO.C2N3/c1-3-8(2)4-6-9-7-5-8;3-1-5-2-4/h3-7H2,1-2H3;/q+1;-1
InChIKeyJNIYLTBMWOMTSJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.69
Rot. Bonds1

About cyanoiminomethylideneazanide;4-ethyl-4-methylmorpholin-4-ium

cyanoiminomethylideneazanide;4-ethyl-4-methylmorpholin-4-ium (PubChem CID 133083950) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is cyanoiminomethylideneazanide;4-ethyl-4-methylmorpholin-4-ium.

Molecular Properties

Compound Namecyanoiminomethylideneazanide;4-ethyl-4-methylmorpholin-4-ium
PubChem CID133083950
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Namecyanoiminomethylideneazanide;4-ethyl-4-methylmorpholin-4-ium
SMILESCC[N+]1(C)CCOCC1.N#CN=C=[N-]
InChIInChI=1S/C7H16NO.C2N3/c1-3-8(2)4-6-9-7-5-8;3-1-5-2-4/h3-7H2,1-2H3;/q+1;-1
InChIKeyJNIYLTBMWOMTSJ-UHFFFAOYSA-N
XLogP0.69
TPSA67.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyanoiminomethylideneazanide;4-ethyl-4-methylmorpholin-4-ium?
The IUPAC name of cyanoiminomethylideneazanide;4-ethyl-4-methylmorpholin-4-ium (CID 133083950) is cyanoiminomethylideneazanide;4-ethyl-4-methylmorpholin-4-ium.
What is the SMILES notation for cyanoiminomethylideneazanide;4-ethyl-4-methylmorpholin-4-ium?
The canonical SMILES for cyanoiminomethylideneazanide;4-ethyl-4-methylmorpholin-4-ium is CC[N+]1(C)CCOCC1.N#CN=C=[N-].
What is the InChIKey of cyanoiminomethylideneazanide;4-ethyl-4-methylmorpholin-4-ium?
The InChIKey is JNIYLTBMWOMTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO.C2N3/c1-3-8(2)4-6-9-7-5-8;3-1-5-2-4/h3-7H2,1-2H3;/q+1;-1.
What are the key properties of cyanoiminomethylideneazanide;4-ethyl-4-methylmorpholin-4-ium?
cyanoiminomethylideneazanide;4-ethyl-4-methylmorpholin-4-ium has a molecular weight of 196.25 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyanoiminomethylideneazanide;4-ethyl-4-methylmorpholin-4-ium is sourced from PubChem (CID 133083950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).