N-[amino-(2-methylhydrazinyl)methylidene]-N'-(methylideneamino)morpholine-4-carboximidamide

C8H17N7O — CID 174024845

IUPACN-[amino-(2-methylhydrazinyl)methylidene]-N'-(methylideneamino)morpholine-4-carboximidamide
SMILESC=NN=C(N=C(N)NNC)N1CCOCC1
InChIInChI=1S/C8H17N7O/c1-10-13-7(9)12-8(14-11-2)15-3-5-16-6-4-15/h10H,2-6H2,1H3,(H3,9,12,13,14)
InChIKeyFCFXVJCCROZKRE-UHFFFAOYSA-N
MW227.27 g/mol
LogP-1.67
Rot. Bonds2

About N-[amino-(2-methylhydrazinyl)methylidene]-N'-(methylideneamino)morpholine-4-carboximidamide

N-[amino-(2-methylhydrazinyl)methylidene]-N'-(methylideneamino)morpholine-4-carboximidamide (PubChem CID 174024845) has the molecular formula C8H17N7O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-[amino-(2-methylhydrazinyl)methylidene]-N'-(methylideneamino)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN-[amino-(2-methylhydrazinyl)methylidene]-N'-(methylideneamino)morpholine-4-carboximidamide
PubChem CID174024845
Molecular FormulaC8H17N7O
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC NameN-[amino-(2-methylhydrazinyl)methylidene]-N'-(methylideneamino)morpholine-4-carboximidamide
SMILESC=NN=C(N=C(N)NNC)N1CCOCC1
InChIInChI=1S/C8H17N7O/c1-10-13-7(9)12-8(14-11-2)15-3-5-16-6-4-15/h10H,2-6H2,1H3,(H3,9,12,13,14)
InChIKeyFCFXVJCCROZKRE-UHFFFAOYSA-N
XLogP-1.67
TPSA99.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N-[amino-(2-methylhydrazinyl)methylidene]-N'-(methylideneamino)morpholine-4-carboximidamide?
The IUPAC name of N-[amino-(2-methylhydrazinyl)methylidene]-N'-(methylideneamino)morpholine-4-carboximidamide (CID 174024845) is N-[amino-(2-methylhydrazinyl)methylidene]-N'-(methylideneamino)morpholine-4-carboximidamide.
What is the SMILES notation for N-[amino-(2-methylhydrazinyl)methylidene]-N'-(methylideneamino)morpholine-4-carboximidamide?
The canonical SMILES for N-[amino-(2-methylhydrazinyl)methylidene]-N'-(methylideneamino)morpholine-4-carboximidamide is C=NN=C(N=C(N)NNC)N1CCOCC1.
What is the InChIKey of N-[amino-(2-methylhydrazinyl)methylidene]-N'-(methylideneamino)morpholine-4-carboximidamide?
The InChIKey is FCFXVJCCROZKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N7O/c1-10-13-7(9)12-8(14-11-2)15-3-5-16-6-4-15/h10H,2-6H2,1H3,(H3,9,12,13,14).
What are the key properties of N-[amino-(2-methylhydrazinyl)methylidene]-N'-(methylideneamino)morpholine-4-carboximidamide?
N-[amino-(2-methylhydrazinyl)methylidene]-N'-(methylideneamino)morpholine-4-carboximidamide has a molecular weight of 227.27 g/mol, XLogP of -1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(2-methylhydrazinyl)methylidene]-N'-(methylideneamino)morpholine-4-carboximidamide is sourced from PubChem (CID 174024845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).