1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine

C₁₆H₂₆N₄O — CID 111063190

About 1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine

1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine (PubChem CID 111063190) has the molecular formula C₁₆H₂₆N₄O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine.

Molecular Properties

• Compound Name: 1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine
• PubChem CID: 111063190
• Molecular Formula: C₁₆H₂₆N₄O
• Molecular Weight: 290.41 g/mol
• Exact Mass: 290.21
• IUPAC Name: 1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine
• SMILES: CC(C)(C)N/C(N)=N/Cc1ccccc1N1CCOCC1
• InChI: InChI=1S/C16H26N4O/c1-16(2,3)19-15(17)18-12-13-6-4-5-7-14(13)20-8-10-21-11-9-20/h4-7H,8-12H2,1-3H3,(H3,17,18,19)
• InChIKey: FIDCXPIVPJOUNA-UHFFFAOYSA-N
• XLogP: 1.73
• TPSA: 62.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.41
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

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 1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine?

The IUPAC name of 1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine (CID 111063190) is 1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine.

What is the SMILES notation for 1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine?

The canonical SMILES for 1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine is CC(C)(C)N/C(N)=N/Cc1ccccc1N1CCOCC1.

What is the InChIKey of 1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine?

The InChIKey is FIDCXPIVPJOUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-16(2,3)19-15(17)18-12-13-6-4-5-7-14(13)20-8-10-21-11-9-20/h4-7H,8-12H2,1-3H3,(H3,17,18,19).

What are the key properties of 1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine?

1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine has a molecular weight of 290.41 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine is sourced from PubChem (CID 111063190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 111063190 — identifiers, structure, computed properties (public domain)

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