2-methyl-1-[(E)-pent-3-enyl]-3-(1-propylpiperidin-4-yl)guanidine

C₁₅H₃₀N₄ — CID 111791613

About 2-methyl-1-[(E)-pent-3-enyl]-3-(1-propylpiperidin-4-yl)guanidine

2-methyl-1-[(E)-pent-3-enyl]-3-(1-propylpiperidin-4-yl)guanidine (PubChem CID 111791613) has the molecular formula C₁₅H₃₀N₄ and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-methyl-1-[(E)-pent-3-enyl]-3-(1-propylpiperidin-4-yl)guanidine.

Molecular Properties

• Compound Name: 2-methyl-1-[(E)-pent-3-enyl]-3-(1-propylpiperidin-4-yl)guanidine
• PubChem CID: 111791613
• Molecular Formula: C₁₅H₃₀N₄
• Molecular Weight: 266.43 g/mol
• Exact Mass: 266.25
• IUPAC Name: 2-methyl-1-[(E)-pent-3-enyl]-3-(1-propylpiperidin-4-yl)guanidine
• SMILES: C/C=C/CCN/C(=N\C)NC1CCN(CCC)CC1
• InChI: InChI=1S/C15H30N4/c1-4-6-7-10-17-15(16-3)18-14-8-12-19(11-5-2)13-9-14/h4,6,14H,5,7-13H2,1-3H3,(H2,16,17,18)/b6-4+
• InChIKey: HKAUFOBZKSHBRZ-GQCTYLIASA-N
• XLogP: 1.99
• TPSA: 39.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	266.43
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(E)-pent-3-enyl]-3-(1-propylpiperidin-4-yl)guanidine?

The IUPAC name of 2-methyl-1-[(E)-pent-3-enyl]-3-(1-propylpiperidin-4-yl)guanidine (CID 111791613) is 2-methyl-1-[(E)-pent-3-enyl]-3-(1-propylpiperidin-4-yl)guanidine.

What is the SMILES notation for 2-methyl-1-[(E)-pent-3-enyl]-3-(1-propylpiperidin-4-yl)guanidine?

The canonical SMILES for 2-methyl-1-[(E)-pent-3-enyl]-3-(1-propylpiperidin-4-yl)guanidine is C/C=C/CCN/C(=N\C)NC1CCN(CCC)CC1.

What is the InChIKey of 2-methyl-1-[(E)-pent-3-enyl]-3-(1-propylpiperidin-4-yl)guanidine?

The InChIKey is HKAUFOBZKSHBRZ-GQCTYLIASA-N. The full InChI is InChI=1S/C15H30N4/c1-4-6-7-10-17-15(16-3)18-14-8-12-19(11-5-2)13-9-14/h4,6,14H,5,7-13H2,1-3H3,(H2,16,17,18)/b6-4+.

What are the key properties of 2-methyl-1-[(E)-pent-3-enyl]-3-(1-propylpiperidin-4-yl)guanidine?

2-methyl-1-[(E)-pent-3-enyl]-3-(1-propylpiperidin-4-yl)guanidine has a molecular weight of 266.43 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-[(E)-pent-3-enyl]-3-(1-propylpiperidin-4-yl)guanidine is sourced from PubChem (CID 111791613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 111791613 — identifiers, structure, computed properties (public domain)

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