1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide

C19H34IN5O2 — CID 111369180

About 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide

1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide (PubChem CID 111369180) has the molecular formula C19H34IN5O2 and a molecular weight of 491.42 g/mol. Its IUPAC name is 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
• PubChem CID: 111369180
• Molecular Formula: C19H34IN5O2
• Molecular Weight: 491.42 g/mol
• Exact Mass: 491.18
• IUPAC Name: 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
• SMILES: CCN/C(=N\Cc1cccc(OC)n1)NCC1CN(CC(C)C)CCO1.I
• InChI: InChI=1S/C19H33N5O2.HI/c1-5-20-19(21-11-16-7-6-8-18(23-16)25-4)22-12-17-14-24(9-10-26-17)13-15(2)3;/h6-8,15,17H,5,9-14H2,1-4H3,(H2,20,21,22);1H
• InChIKey: NTFKDJXJJAEIFQ-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 71.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.42
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide?

The IUPAC name of 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide (CID 111369180) is 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide.

What is the SMILES notation for 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide?

The canonical SMILES for 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide is CCN/C(=N\Cc1cccc(OC)n1)NCC1CN(CC(C)C)CCO1.I.

What is the InChIKey of 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide?

The InChIKey is NTFKDJXJJAEIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2.HI/c1-5-20-19(21-11-16-7-6-8-18(23-16)25-4)22-12-17-14-24(9-10-26-17)13-15(2)3;/h6-8,15,17H,5,9-14H2,1-4H3,(H2,20,21,22);1H.

What are the key properties of 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide?

1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide has a molecular weight of 491.42 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 111369180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).