diaminomethylidene-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]azanium

C13H19FN5O+ — CID 9017502

IUPACdiaminomethylidene-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]azanium
SMILESC/C(=N/[NH+]=C(N)N)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C13H18FN5O/c1-9(17-18-13(15)16)10-2-3-12(11(14)8-10)19-4-6-20-7-5-19/h2-3,8H,4-7H2,1H3,(H4,15,16,18)/p+1/b17-9-
InChIKeyWYIOLKVUDJGFMY-MFOYZWKCSA-O
MW280.33 g/mol
LogP-1.26
Rot. Bonds3

About diaminomethylidene-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]azanium

diaminomethylidene-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]azanium (PubChem CID 9017502) has the molecular formula C13H19FN5O+ and a molecular weight of 280.33 g/mol. Its IUPAC name is diaminomethylidene-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]azanium.

Molecular Properties

Compound Namediaminomethylidene-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]azanium
PubChem CID9017502
Molecular FormulaC13H19FN5O+
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Namediaminomethylidene-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]azanium
SMILESC/C(=N/[NH+]=C(N)N)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C13H18FN5O/c1-9(17-18-13(15)16)10-2-3-12(11(14)8-10)19-4-6-20-7-5-19/h2-3,8H,4-7H2,1H3,(H4,15,16,18)/p+1/b17-9-
InChIKeyWYIOLKVUDJGFMY-MFOYZWKCSA-O
XLogP-1.26
TPSA90.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 diaminomethylidene-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]azanium?
The IUPAC name of diaminomethylidene-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]azanium (CID 9017502) is diaminomethylidene-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]azanium.
What is the SMILES notation for diaminomethylidene-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]azanium?
The canonical SMILES for diaminomethylidene-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]azanium is C/C(=N/[NH+]=C(N)N)c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of diaminomethylidene-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]azanium?
The InChIKey is WYIOLKVUDJGFMY-MFOYZWKCSA-O. The full InChI is InChI=1S/C13H18FN5O/c1-9(17-18-13(15)16)10-2-3-12(11(14)8-10)19-4-6-20-7-5-19/h2-3,8H,4-7H2,1H3,(H4,15,16,18)/p+1/b17-9-.
What are the key properties of diaminomethylidene-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]azanium?
diaminomethylidene-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]azanium has a molecular weight of 280.33 g/mol, XLogP of -1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidene-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]azanium is sourced from PubChem (CID 9017502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).