N-[amino-(methylideneamino)methylidene]-N'-methylcarbamimidoyl chloride

C4H7ClN4 — CID 175633595

IUPACN-[amino-(methylideneamino)methylidene]-N'-methylcarbamimidoyl chloride
SMILESC=NC(N)=N/C(Cl)=N/C
InChIInChI=1S/C4H7ClN4/c1-7-3(5)9-4(6)8-2/h2H2,1H3,(H2,6,7,9)
InChIKeyNKXIZBHVEBBXIO-UHFFFAOYSA-N
MW146.58 g/mol
LogP0.23
Rot. Bonds

About N-[amino-(methylideneamino)methylidene]-N'-methylcarbamimidoyl chloride

N-[amino-(methylideneamino)methylidene]-N'-methylcarbamimidoyl chloride (PubChem CID 175633595) has the molecular formula C4H7ClN4 and a molecular weight of 146.58 g/mol. Its IUPAC name is N-[amino-(methylideneamino)methylidene]-N'-methylcarbamimidoyl chloride.

Molecular Properties

Compound NameN-[amino-(methylideneamino)methylidene]-N'-methylcarbamimidoyl chloride
PubChem CID175633595
Molecular FormulaC4H7ClN4
Molecular Weight146.58 g/mol
Exact Mass146.04
IUPAC NameN-[amino-(methylideneamino)methylidene]-N'-methylcarbamimidoyl chloride
SMILESC=NC(N)=N/C(Cl)=N/C
InChIInChI=1S/C4H7ClN4/c1-7-3(5)9-4(6)8-2/h2H2,1H3,(H2,6,7,9)
InChIKeyNKXIZBHVEBBXIO-UHFFFAOYSA-N
XLogP0.23
TPSA63.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.58
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[amino-(methylideneamino)methylidene]-N'-methylcarbamimidoyl chloride?
The IUPAC name of N-[amino-(methylideneamino)methylidene]-N'-methylcarbamimidoyl chloride (CID 175633595) is N-[amino-(methylideneamino)methylidene]-N'-methylcarbamimidoyl chloride.
What is the SMILES notation for N-[amino-(methylideneamino)methylidene]-N'-methylcarbamimidoyl chloride?
The canonical SMILES for N-[amino-(methylideneamino)methylidene]-N'-methylcarbamimidoyl chloride is C=NC(N)=N/C(Cl)=N/C.
What is the InChIKey of N-[amino-(methylideneamino)methylidene]-N'-methylcarbamimidoyl chloride?
The InChIKey is NKXIZBHVEBBXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClN4/c1-7-3(5)9-4(6)8-2/h2H2,1H3,(H2,6,7,9).
What are the key properties of N-[amino-(methylideneamino)methylidene]-N'-methylcarbamimidoyl chloride?
N-[amino-(methylideneamino)methylidene]-N'-methylcarbamimidoyl chloride has a molecular weight of 146.58 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(methylideneamino)methylidene]-N'-methylcarbamimidoyl chloride is sourced from PubChem (CID 175633595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).