Trimethyl propylguanidine

C₇H₁₇N₃ — CID 54447877

About Trimethyl propylguanidine

Trimethyl propylguanidine (PubChem CID 54447877) has the molecular formula C₇H₁₇N₃ and a molecular weight of 143.23 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-propylguanidine.

Molecular Properties

• Compound Name: Trimethyl propylguanidine
• PubChem CID: 54447877
• Molecular Formula: C₇H₁₇N₃
• Molecular Weight: 143.23 g/mol
• Exact Mass: 143.14
• IUPAC Name: 1,1,3-trimethyl-3-propylguanidine
• SMILES: [H]/N=C(\N(C)C)N(C)CCC
• InChI: InChI=1S/C7H17N3/c1-5-6-10(4)7(8)9(2)3/h8H,5-6H2,1-4H3/b8-7+
• InChIKey: WSVDDLIOOPCZND-BQYQJAHWSA-N
• XLogP: 0.82
• TPSA: 30.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	143.23
LogP ≤ 5	0.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

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 Trimethyl propylguanidine?

The IUPAC name of Trimethyl propylguanidine (CID 54447877) is 1,1,3-trimethyl-3-propylguanidine.

What is the SMILES notation for Trimethyl propylguanidine?

The canonical SMILES for Trimethyl propylguanidine is [H]/N=C(\N(C)C)N(C)CCC.

What is the InChIKey of Trimethyl propylguanidine?

The InChIKey is WSVDDLIOOPCZND-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H17N3/c1-5-6-10(4)7(8)9(2)3/h8H,5-6H2,1-4H3/b8-7+.

What are the key properties of Trimethyl propylguanidine?

Trimethyl propylguanidine has a molecular weight of 143.23 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Trimethyl propylguanidine is sourced from PubChem (CID 54447877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 54447877 — identifiers, structure, computed properties (public domain)

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