N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride

C₇H₁₅Cl₂N₅ — CID 142722439

About N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride

N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride (PubChem CID 142722439) has the molecular formula C₇H₁₅Cl₂N₅ and a molecular weight of 240.14 g/mol. Its IUPAC name is N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride.

Molecular Properties

• Compound Name: N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride
• PubChem CID: 142722439
• Molecular Formula: C₇H₁₅Cl₂N₅
• Molecular Weight: 240.14 g/mol
• Exact Mass: 239.07
• IUPAC Name: N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride
• SMILES: Cl.Cl.[H]/N=C(\N=C(N)N)N1CC=CCC1
• InChI: InChI=1S/C7H13N5.2ClH/c8-6(9)11-7(10)12-4-2-1-3-5-12;;/h1-2H,3-5H2,(H5,8,9,10,11);2*1H
• InChIKey: VTRNMLAAAQGVJS-UHFFFAOYSA-N
• XLogP: 0.30
• TPSA: 91.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	240.14
LogP ≤ 5	0.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride?

The IUPAC name of N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride (CID 142722439) is N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride.

What is the SMILES notation for N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride?

The canonical SMILES for N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N=C(N)N)N1CC=CCC1.

What is the InChIKey of N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride?

The InChIKey is VTRNMLAAAQGVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5.2ClH/c8-6(9)11-7(10)12-4-2-1-3-5-12;;/h1-2H,3-5H2,(H5,8,9,10,11);2*1H.

What are the key properties of N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride?

N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride has a molecular weight of 240.14 g/mol, XLogP of 0.30, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride is sourced from PubChem (CID 142722439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142722439 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.