2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide

C16H26Cl2IN5O — CID 109384321

About 2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide

2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide (PubChem CID 109384321) has the molecular formula C16H26Cl2IN5O and a molecular weight of 502.23 g/mol. Its IUPAC name is 2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide.

Molecular Properties

• Compound Name: 2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
• PubChem CID: 109384321
• Molecular Formula: C16H26Cl2IN5O
• Molecular Weight: 502.23 g/mol
• Exact Mass: 501.06
• IUPAC Name: 2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
• SMILES: CCN/C(=N\CCNc1ncc(Cl)cc1Cl)N(C)CC1CCOC1.I
• InChI: InChI=1S/C16H25Cl2N5O.HI/c1-3-19-16(23(2)10-12-4-7-24-11-12)21-6-5-20-15-14(18)8-13(17)9-22-15;/h8-9,12H,3-7,10-11H2,1-2H3,(H,19,21)(H,20,22);1H
• InChIKey: KBHAOULHHJEONG-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 61.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.23
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide?

The IUPAC name of 2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide (CID 109384321) is 2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide.

What is the SMILES notation for 2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide?

The canonical SMILES for 2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide is CCN/C(=N\CCNc1ncc(Cl)cc1Cl)N(C)CC1CCOC1.I.

What is the InChIKey of 2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide?

The InChIKey is KBHAOULHHJEONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2N5O.HI/c1-3-19-16(23(2)10-12-4-7-24-11-12)21-6-5-20-15-14(18)8-13(17)9-22-15;/h8-9,12H,3-7,10-11H2,1-2H3,(H,19,21)(H,20,22);1H.

What are the key properties of 2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide?

2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide has a molecular weight of 502.23 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 109384321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).