2-[2-(diethylamino)propyl]-1-propylguanidine

C₁₁H₂₆N₄ — CID 111055329

About 2-[2-(diethylamino)propyl]-1-propylguanidine

2-[2-(diethylamino)propyl]-1-propylguanidine (PubChem CID 111055329) has the molecular formula C₁₁H₂₆N₄ and a molecular weight of 214.36 g/mol. Its IUPAC name is 2-[2-(diethylamino)propyl]-1-propylguanidine.

Molecular Properties

• Compound Name: 2-[2-(diethylamino)propyl]-1-propylguanidine
• PubChem CID: 111055329
• Molecular Formula: C₁₁H₂₆N₄
• Molecular Weight: 214.36 g/mol
• Exact Mass: 214.22
• IUPAC Name: 2-[2-(diethylamino)propyl]-1-propylguanidine
• SMILES: CCCN/C(N)=N/CC(C)N(CC)CC
• InChI: InChI=1S/C11H26N4/c1-5-8-13-11(12)14-9-10(4)15(6-2)7-3/h10H,5-9H2,1-4H3,(H3,12,13,14)
• InChIKey: IENDRLXKGXMKRQ-UHFFFAOYSA-N
• XLogP: 1.03
• TPSA: 53.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	214.36
LogP ≤ 5	1.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

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 2-[2-(diethylamino)propyl]-1-propylguanidine?

The IUPAC name of 2-[2-(diethylamino)propyl]-1-propylguanidine (CID 111055329) is 2-[2-(diethylamino)propyl]-1-propylguanidine.

What is the SMILES notation for 2-[2-(diethylamino)propyl]-1-propylguanidine?

The canonical SMILES for 2-[2-(diethylamino)propyl]-1-propylguanidine is CCCN/C(N)=N/CC(C)N(CC)CC.

What is the InChIKey of 2-[2-(diethylamino)propyl]-1-propylguanidine?

The InChIKey is IENDRLXKGXMKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4/c1-5-8-13-11(12)14-9-10(4)15(6-2)7-3/h10H,5-9H2,1-4H3,(H3,12,13,14).

What are the key properties of 2-[2-(diethylamino)propyl]-1-propylguanidine?

2-[2-(diethylamino)propyl]-1-propylguanidine has a molecular weight of 214.36 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(diethylamino)propyl]-1-propylguanidine is sourced from PubChem (CID 111055329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 111055329 — identifiers, structure, computed properties (public domain)

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