dimorpholin-4-ylmethylideneazanide

C9H16N3O2- — CID 162358390

IUPACdimorpholin-4-ylmethylideneazanide
SMILES[N-]=C(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C9H16N3O2/c10-9(11-1-5-13-6-2-11)12-3-7-14-8-4-12/h1-8H2/q-1
InChIKeyZYOVRHKTISKGLP-UHFFFAOYSA-N
MW198.25 g/mol
LogP-0.42
Rot. Bonds

About dimorpholin-4-ylmethylideneazanide

dimorpholin-4-ylmethylideneazanide (PubChem CID 162358390) has the molecular formula C9H16N3O2- and a molecular weight of 198.25 g/mol. Its IUPAC name is dimorpholin-4-ylmethylideneazanide.

Molecular Properties

Compound Namedimorpholin-4-ylmethylideneazanide
PubChem CID162358390
Molecular FormulaC9H16N3O2-
Molecular Weight198.25 g/mol
Exact Mass198.12
IUPAC Namedimorpholin-4-ylmethylideneazanide
SMILES[N-]=C(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C9H16N3O2/c10-9(11-1-5-13-6-2-11)12-3-7-14-8-4-12/h1-8H2/q-1
InChIKeyZYOVRHKTISKGLP-UHFFFAOYSA-N
XLogP-0.42
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimorpholin-4-ylmethylideneazanide?
The IUPAC name of dimorpholin-4-ylmethylideneazanide (CID 162358390) is dimorpholin-4-ylmethylideneazanide.
What is the SMILES notation for dimorpholin-4-ylmethylideneazanide?
The canonical SMILES for dimorpholin-4-ylmethylideneazanide is [N-]=C(N1CCOCC1)N1CCOCC1.
What is the InChIKey of dimorpholin-4-ylmethylideneazanide?
The InChIKey is ZYOVRHKTISKGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N3O2/c10-9(11-1-5-13-6-2-11)12-3-7-14-8-4-12/h1-8H2/q-1.
What are the key properties of dimorpholin-4-ylmethylideneazanide?
dimorpholin-4-ylmethylideneazanide has a molecular weight of 198.25 g/mol, XLogP of -0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimorpholin-4-ylmethylideneazanide is sourced from PubChem (CID 162358390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).