1,2-Didecylguanidine

C₂₁H₄₅N₃ — CID 23103964

About 1,2-Didecylguanidine

1,2-Didecylguanidine (PubChem CID 23103964) has the molecular formula C₂₁H₄₅N₃ and a molecular weight of 339.61 g/mol. Its IUPAC name is 1,2-didecylguanidine.

Molecular Properties

• Compound Name: 1,2-Didecylguanidine
• PubChem CID: 23103964
• Molecular Formula: C₂₁H₄₅N₃
• Molecular Weight: 339.61 g/mol
• Exact Mass: 339.36
• IUPAC Name: 1,2-didecylguanidine
• SMILES: CCCCCCCCCC/N=C(\N)NCCCCCCCCCC
• InChI: InChI=1S/C21H45N3/c1-3-5-7-9-11-13-15-17-19-23-21(22)24-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3,(H3,22,23,24)
• InChIKey: QGLXFWFUPYCBAF-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 50.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 1
• Rotatable Bonds: 18
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	339.61
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2-Didecylguanidine?

The IUPAC name of 1,2-Didecylguanidine (CID 23103964) is 1,2-didecylguanidine.

What is the SMILES notation for 1,2-Didecylguanidine?

The canonical SMILES for 1,2-Didecylguanidine is CCCCCCCCCC/N=C(\N)NCCCCCCCCCC.

What is the InChIKey of 1,2-Didecylguanidine?

The InChIKey is QGLXFWFUPYCBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N3/c1-3-5-7-9-11-13-15-17-19-23-21(22)24-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3,(H3,22,23,24).

What are the key properties of 1,2-Didecylguanidine?

1,2-Didecylguanidine has a molecular weight of 339.61 g/mol, XLogP of 6.17, 18 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-Didecylguanidine is sourced from PubChem (CID 23103964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 23103964 — identifiers, structure, computed properties (public domain)

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