N-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide

C₁₂H₂₁N₅ — CID 143008160

About N-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide

N-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide (PubChem CID 143008160) has the molecular formula C₁₂H₂₁N₅ and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide.

Molecular Properties

• Compound Name: N-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide
• PubChem CID: 143008160
• Molecular Formula: C₁₂H₂₁N₅
• Molecular Weight: 235.33 g/mol
• Exact Mass: 235.18
• IUPAC Name: N-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide
• SMILES: [H]/N=C/C(=C)/C(=N\C1CCCCC1)N/C=N\CN
• InChI: InChI=1S/C12H21N5/c1-10(7-13)12(16-9-15-8-14)17-11-5-3-2-4-6-11/h7,9,11,13H,1-6,8,14H2,(H,15,16,17)/b13-7+
• InChIKey: LWMGRSBOVNEJEV-NTUHNPAUSA-N
• XLogP: 1.46
• TPSA: 86.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	235.33
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide?

The IUPAC name of N-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide (CID 143008160) is N-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide.

What is the SMILES notation for N-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide?

The canonical SMILES for N-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide is [H]/N=C/C(=C)/C(=N\C1CCCCC1)N/C=N\CN.

What is the InChIKey of N-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide?

The InChIKey is LWMGRSBOVNEJEV-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H21N5/c1-10(7-13)12(16-9-15-8-14)17-11-5-3-2-4-6-11/h7,9,11,13H,1-6,8,14H2,(H,15,16,17)/b13-7+.

What are the key properties of N-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide?

N-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide has a molecular weight of 235.33 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide is sourced from PubChem (CID 143008160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143008160 — identifiers, structure, computed properties (public domain)

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