N-(diaminomethylidene)morpholine-4-carboximidamide;morpholine-4-carboximidamide

C11H24N8O2 — CID 90389377

IUPACN-(diaminomethylidene)morpholine-4-carboximidamide;morpholine-4-carboximidamide
SMILES[H]/N=C(\N)N1CCOCC1.[H]/N=C(\N=C(N)N)N1CCOCC1
InChIInChI=1S/C6H13N5O.C5H11N3O/c7-5(8)10-6(9)11-1-3-12-4-2-11;6-5(7)8-1-3-9-4-2-8/h1-4H2,(H5,7,8,9,10);1-4H2,(H3,6,7)
InChIKeyZNFFTPCQUGJJGL-UHFFFAOYSA-N
MW300.37 g/mol
LogP-2.26
Rot. Bonds

About N-(diaminomethylidene)morpholine-4-carboximidamide;morpholine-4-carboximidamide

N-(diaminomethylidene)morpholine-4-carboximidamide;morpholine-4-carboximidamide (PubChem CID 90389377) has the molecular formula C11H24N8O2 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-(diaminomethylidene)morpholine-4-carboximidamide;morpholine-4-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)morpholine-4-carboximidamide;morpholine-4-carboximidamide
PubChem CID90389377
Molecular FormulaC11H24N8O2
Molecular Weight300.37 g/mol
Exact Mass300.20
IUPAC NameN-(diaminomethylidene)morpholine-4-carboximidamide;morpholine-4-carboximidamide
SMILES[H]/N=C(\N)N1CCOCC1.[H]/N=C(\N=C(N)N)N1CCOCC1
InChIInChI=1S/C6H13N5O.C5H11N3O/c7-5(8)10-6(9)11-1-3-12-4-2-11;6-5(7)8-1-3-9-4-2-8/h1-4H2,(H5,7,8,9,10);1-4H2,(H3,6,7)
InChIKeyZNFFTPCQUGJJGL-UHFFFAOYSA-N
XLogP-2.26
TPSA163.06 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 5-2.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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 N-(diaminomethylidene)morpholine-4-carboximidamide;morpholine-4-carboximidamide?
The IUPAC name of N-(diaminomethylidene)morpholine-4-carboximidamide;morpholine-4-carboximidamide (CID 90389377) is N-(diaminomethylidene)morpholine-4-carboximidamide;morpholine-4-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)morpholine-4-carboximidamide;morpholine-4-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)morpholine-4-carboximidamide;morpholine-4-carboximidamide is [H]/N=C(\N)N1CCOCC1.[H]/N=C(\N=C(N)N)N1CCOCC1.
What is the InChIKey of N-(diaminomethylidene)morpholine-4-carboximidamide;morpholine-4-carboximidamide?
The InChIKey is ZNFFTPCQUGJJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5O.C5H11N3O/c7-5(8)10-6(9)11-1-3-12-4-2-11;6-5(7)8-1-3-9-4-2-8/h1-4H2,(H5,7,8,9,10);1-4H2,(H3,6,7).
What are the key properties of N-(diaminomethylidene)morpholine-4-carboximidamide;morpholine-4-carboximidamide?
N-(diaminomethylidene)morpholine-4-carboximidamide;morpholine-4-carboximidamide has a molecular weight of 300.37 g/mol, XLogP of -2.26, 0 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)morpholine-4-carboximidamide;morpholine-4-carboximidamide is sourced from PubChem (CID 90389377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).