dimorpholin-4-ylmethylidenecyanamide

C10H16N4O2 — CID 102528420

IUPACdimorpholin-4-ylmethylidenecyanamide
SMILESN#CN=C(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C10H16N4O2/c11-9-12-10(13-1-5-15-6-2-13)14-3-7-16-8-4-14/h1-8H2
InChIKeyDDWRFFWDGXTLBZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.51
Rot. Bonds

About dimorpholin-4-ylmethylidenecyanamide

dimorpholin-4-ylmethylidenecyanamide (PubChem CID 102528420) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is dimorpholin-4-ylmethylidenecyanamide.

Molecular Properties

Compound Namedimorpholin-4-ylmethylidenecyanamide
PubChem CID102528420
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Namedimorpholin-4-ylmethylidenecyanamide
SMILESN#CN=C(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C10H16N4O2/c11-9-12-10(13-1-5-15-6-2-13)14-3-7-16-8-4-14/h1-8H2
InChIKeyDDWRFFWDGXTLBZ-UHFFFAOYSA-N
XLogP-0.51
TPSA61.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'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-ylmethylidenecyanamide?
The IUPAC name of dimorpholin-4-ylmethylidenecyanamide (CID 102528420) is dimorpholin-4-ylmethylidenecyanamide.
What is the SMILES notation for dimorpholin-4-ylmethylidenecyanamide?
The canonical SMILES for dimorpholin-4-ylmethylidenecyanamide is N#CN=C(N1CCOCC1)N1CCOCC1.
What is the InChIKey of dimorpholin-4-ylmethylidenecyanamide?
The InChIKey is DDWRFFWDGXTLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-9-12-10(13-1-5-15-6-2-13)14-3-7-16-8-4-14/h1-8H2.
What are the key properties of dimorpholin-4-ylmethylidenecyanamide?
dimorpholin-4-ylmethylidenecyanamide has a molecular weight of 224.26 g/mol, XLogP of -0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimorpholin-4-ylmethylidenecyanamide is sourced from PubChem (CID 102528420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).