1-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide

C20H34IN5O2 — CID 111093982

About 1-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide

1-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide (PubChem CID 111093982) has the molecular formula C20H34IN5O2 and a molecular weight of 503.43 g/mol. Its IUPAC name is 1-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
• PubChem CID: 111093982
• Molecular Formula: C20H34IN5O2
• Molecular Weight: 503.43 g/mol
• Exact Mass: 503.18
• IUPAC Name: 1-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
• SMILES: C/N=C(\NCCN1CCOCC1)NCc1ccnc(OC2CCCCC2)c1.I
• InChI: InChI=1S/C20H33N5O2.HI/c1-21-20(23-9-10-25-11-13-26-14-12-25)24-16-17-7-8-22-19(15-17)27-18-5-3-2-4-6-18;/h7-8,15,18H,2-6,9-14,16H2,1H3,(H2,21,23,24);1H
• InChIKey: GKLBWBPREKALGN-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 71.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.43
LogP ≤ 5	2.41
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-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?

The IUPAC name of 1-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide (CID 111093982) is 1-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide.

What is the SMILES notation for 1-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?

The canonical SMILES for 1-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide is C/N=C(\NCCN1CCOCC1)NCc1ccnc(OC2CCCCC2)c1.I.

What is the InChIKey of 1-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?

The InChIKey is GKLBWBPREKALGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2.HI/c1-21-20(23-9-10-25-11-13-26-14-12-25)24-16-17-7-8-22-19(15-17)27-18-5-3-2-4-6-18;/h7-8,15,18H,2-6,9-14,16H2,1H3,(H2,21,23,24);1H.

What are the key properties of 1-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?

1-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide has a molecular weight of 503.43 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111093982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).