1-cyclopropyl-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-1-methylguanidine;hydroiodide

C12H17Cl2IN4O — CID 110031647

IUPAC1-cyclopropyl-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-1-methylguanidine;hydroiodide
SMILESCN(/C(N)=N/CCOc1ncc(Cl)cc1Cl)C1CC1.I
InChIInChI=1S/C12H16Cl2N4O.HI/c1-18(9-2-3-9)12(15)16-4-5-19-11-10(14)6-8(13)7-17-11;/h6-7,9H,2-5H2,1H3,(H2,15,16);1H
InChIKeySJVIMJFWFQDMOF-UHFFFAOYSA-N
MW431.11 g/mol
LogP2.79
Rot. Bonds5

About 1-cyclopropyl-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-1-methylguanidine;hydroiodide

1-cyclopropyl-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-1-methylguanidine;hydroiodide (PubChem CID 110031647) has the molecular formula C12H17Cl2IN4O and a molecular weight of 431.11 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-1-methylguanidine;hydroiodide
PubChem CID110031647
Molecular FormulaC12H17Cl2IN4O
Molecular Weight431.11 g/mol
Exact Mass429.98
IUPAC Name1-cyclopropyl-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-1-methylguanidine;hydroiodide
SMILESCN(/C(N)=N/CCOc1ncc(Cl)cc1Cl)C1CC1.I
InChIInChI=1S/C12H16Cl2N4O.HI/c1-18(9-2-3-9)12(15)16-4-5-19-11-10(14)6-8(13)7-17-11;/h6-7,9H,2-5H2,1H3,(H2,15,16);1H
InChIKeySJVIMJFWFQDMOF-UHFFFAOYSA-N
XLogP2.79
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.11
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

1-cyclopropyl-1-methyl-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]guanidine;hydroiodide
CID 110031641
N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-1-carboximidamide
CID 75426956
N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 86779305
1-cyclopropyl-2-[3-(2,4-dichlorophenyl)propyl]-1-methylguanidine
CID 110030987
1-cyclopropyl-1-methyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide
CID 110030405
1-cyclopropyl-1-methyl-2-[4-(4-methylphenoxy)butyl]guanidine;hydroiodide
CID 110030120
2-[2-(2-tert-butylphenoxy)ethyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110031172
1-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine;hydroiodide
CID 110030303
2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110029377
1-cyclopropyl-1-methyl-2-[2-(3-propoxyphenyl)ethyl]guanidine;hydroiodide
CID 110031702
1-cyclopropyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-methylguanidine;hydroiodide
CID 110030126
1-cyclopropyl-1-methyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 110031793

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-1-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-1-methylguanidine;hydroiodide (CID 110031647) is 1-cyclopropyl-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-1-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-1-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-1-methylguanidine;hydroiodide is CN(/C(N)=N/CCOc1ncc(Cl)cc1Cl)C1CC1.I.
What is the InChIKey of 1-cyclopropyl-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-1-methylguanidine;hydroiodide?
The InChIKey is SJVIMJFWFQDMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N4O.HI/c1-18(9-2-3-9)12(15)16-4-5-19-11-10(14)6-8(13)7-17-11;/h6-7,9H,2-5H2,1H3,(H2,15,16);1H.
What are the key properties of 1-cyclopropyl-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-1-methylguanidine;hydroiodide?
1-cyclopropyl-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-1-methylguanidine;hydroiodide has a molecular weight of 431.11 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-1-methylguanidine;hydroiodide is sourced from PubChem (CID 110031647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).