1-ethyl-3-(3-indol-1-ylpropyl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine

C25H34N6O — CID 111341801

About 1-ethyl-3-(3-indol-1-ylpropyl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine

1-ethyl-3-(3-indol-1-ylpropyl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine (PubChem CID 111341801) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is 1-ethyl-3-(3-indol-1-ylpropyl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine.

Molecular Properties

• Compound Name: 1-ethyl-3-(3-indol-1-ylpropyl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
• PubChem CID: 111341801
• Molecular Formula: C25H34N6O
• Molecular Weight: 434.59 g/mol
• Exact Mass: 434.28
• IUPAC Name: 1-ethyl-3-(3-indol-1-ylpropyl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
• SMILES: CCN/C(=N\Cc1ccc(N2CCOC(C)C2)nc1)NCCCn1ccc2ccccc21
• InChI: InChI=1S/C25H34N6O/c1-3-26-25(27-12-6-13-30-14-11-22-7-4-5-8-23(22)30)29-18-21-9-10-24(28-17-21)31-15-16-32-20(2)19-31/h4-5,7-11,14,17,20H,3,6,12-13,15-16,18-19H2,1-2H3,(H2,26,27,29)
• InChIKey: JRIRANAAKGUWLX-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 66.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.59
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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-ethyl-3-(3-indol-1-ylpropyl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine?

The IUPAC name of 1-ethyl-3-(3-indol-1-ylpropyl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine (CID 111341801) is 1-ethyl-3-(3-indol-1-ylpropyl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine.

What is the SMILES notation for 1-ethyl-3-(3-indol-1-ylpropyl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine?

The canonical SMILES for 1-ethyl-3-(3-indol-1-ylpropyl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine is CCN/C(=N\Cc1ccc(N2CCOC(C)C2)nc1)NCCCn1ccc2ccccc21.

What is the InChIKey of 1-ethyl-3-(3-indol-1-ylpropyl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine?

The InChIKey is JRIRANAAKGUWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O/c1-3-26-25(27-12-6-13-30-14-11-22-7-4-5-8-23(22)30)29-18-21-9-10-24(28-17-21)31-15-16-32-20(2)19-31/h4-5,7-11,14,17,20H,3,6,12-13,15-16,18-19H2,1-2H3,(H2,26,27,29).

What are the key properties of 1-ethyl-3-(3-indol-1-ylpropyl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine?

1-ethyl-3-(3-indol-1-ylpropyl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine has a molecular weight of 434.59 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-(3-indol-1-ylpropyl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine is sourced from PubChem (CID 111341801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).