N-(diaminomethylidene)morpholine-4-carboximidamide

C12H26N10O2 — CID 70292628

IUPACN-(diaminomethylidene)morpholine-4-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCOCC1.[H]/N=C(\N=C(N)N)N1CCOCC1
InChIInChI=1S/2C6H13N5O/c2*7-5(8)10-6(9)11-1-3-12-4-2-11/h2*1-4H2,(H5,7,8,9,10)
InChIKeyREGAHJNRJQJQCJ-UHFFFAOYSA-N
MW342.41 g/mol
LogP-2.95
Rot. Bonds

About N-(diaminomethylidene)morpholine-4-carboximidamide

N-(diaminomethylidene)morpholine-4-carboximidamide (PubChem CID 70292628) has the molecular formula C12H26N10O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-(diaminomethylidene)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)morpholine-4-carboximidamide
PubChem CID70292628
Molecular FormulaC12H26N10O2
Molecular Weight342.41 g/mol
Exact Mass342.22
IUPAC NameN-(diaminomethylidene)morpholine-4-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCOCC1.[H]/N=C(\N=C(N)N)N1CCOCC1
InChIInChI=1S/2C6H13N5O/c2*7-5(8)10-6(9)11-1-3-12-4-2-11/h2*1-4H2,(H5,7,8,9,10)
InChIKeyREGAHJNRJQJQCJ-UHFFFAOYSA-N
XLogP-2.95
TPSA201.44 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.41
LogP ≤ 5-2.95
H-Bond Donors ≤ 56
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?
The IUPAC name of N-(diaminomethylidene)morpholine-4-carboximidamide (CID 70292628) is N-(diaminomethylidene)morpholine-4-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)morpholine-4-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)morpholine-4-carboximidamide is [H]/N=C(\N=C(N)N)N1CCOCC1.[H]/N=C(\N=C(N)N)N1CCOCC1.
What is the InChIKey of N-(diaminomethylidene)morpholine-4-carboximidamide?
The InChIKey is REGAHJNRJQJQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13N5O/c2*7-5(8)10-6(9)11-1-3-12-4-2-11/h2*1-4H2,(H5,7,8,9,10).
What are the key properties of N-(diaminomethylidene)morpholine-4-carboximidamide?
N-(diaminomethylidene)morpholine-4-carboximidamide has a molecular weight of 342.41 g/mol, XLogP of -2.95, 0 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)morpholine-4-carboximidamide is sourced from PubChem (CID 70292628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).