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

C15H24Cl2IN5O — CID 109386014

IUPAC3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(/NCCNc1ncc(Cl)cc1Cl)N(C)CC1CCOC1.I
InChIInChI=1S/C15H23Cl2N5O.HI/c1-18-15(22(2)9-11-3-6-23-10-11)20-5-4-19-14-13(17)7-12(16)8-21-14;/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,20)(H,19,21);1H
InChIKeyUEANODVRFSOYQO-UHFFFAOYSA-N
MW488.20 g/mol
LogP2.96
Rot. Bonds6

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

3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide (PubChem CID 109386014) has the molecular formula C15H24Cl2IN5O and a molecular weight of 488.20 g/mol. Its IUPAC name is 3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
PubChem CID109386014
Molecular FormulaC15H24Cl2IN5O
Molecular Weight488.20 g/mol
Exact Mass487.04
IUPAC Name3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(/NCCNc1ncc(Cl)cc1Cl)N(C)CC1CCOC1.I
InChIInChI=1S/C15H23Cl2N5O.HI/c1-18-15(22(2)9-11-3-6-23-10-11)20-5-4-19-14-13(17)7-12(16)8-21-14;/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,20)(H,19,21);1H
InChIKeyUEANODVRFSOYQO-UHFFFAOYSA-N
XLogP2.96
TPSA61.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.20
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109384321
3-[2-(tert-butylamino)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109386506
2-chloro-N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 109383097
3-[2-(2-chlorophenoxy)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109382189
3-[2-(tert-butylamino)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386507
3-[3-(4-chloro-2-methylphenoxy)propyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109384044
3-(3-fluoropropyl)-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109384464
1,2-dimethyl-3-(2-methylsulfanylethyl)-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109382973
N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 109382398
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-(3-phenoxypropyl)guanidine;hydroiodide
CID 109382355
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]guanidine;hydroiodide
CID 109383243
3-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109382331

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide (CID 109386014) is 3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide is C/N=C(/NCCNc1ncc(Cl)cc1Cl)N(C)CC1CCOC1.I.
What is the InChIKey of 3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide?
The InChIKey is UEANODVRFSOYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N5O.HI/c1-18-15(22(2)9-11-3-6-23-10-11)20-5-4-19-14-13(17)7-12(16)8-21-14;/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,20)(H,19,21);1H.
What are the key properties of 3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide?
3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide has a molecular weight of 488.20 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 109386014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).