1-cyclopropyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide

C12H19IN4O — CID 111335956

IUPAC1-cyclopropyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCOc1cccnc1)NC1CC1.I
InChIInChI=1S/C12H18N4O.HI/c1-13-12(16-10-4-5-10)15-7-8-17-11-3-2-6-14-9-11;/h2-3,6,9-10H,4-5,7-8H2,1H3,(H2,13,15,16);1H
InChIKeyJZKPLOUPOIXUNZ-UHFFFAOYSA-N
MW362.22 g/mol
LogP1.41
Rot. Bonds5

About 1-cyclopropyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide

1-cyclopropyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide (PubChem CID 111335956) has the molecular formula C12H19IN4O and a molecular weight of 362.22 g/mol. Its IUPAC name is 1-cyclopropyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
PubChem CID111335956
Molecular FormulaC12H19IN4O
Molecular Weight362.22 g/mol
Exact Mass362.06
IUPAC Name1-cyclopropyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCOc1cccnc1)NC1CC1.I
InChIInChI=1S/C12H18N4O.HI/c1-13-12(16-10-4-5-10)15-7-8-17-11-3-2-6-14-9-11;/h2-3,6,9-10H,4-5,7-8H2,1H3,(H2,13,15,16);1H
InChIKeyJZKPLOUPOIXUNZ-UHFFFAOYSA-N
XLogP1.41
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 51.41
H-Bond Donors ≤ 52
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

2-methyl-1-(1-propylpiperidin-4-yl)-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111834531
1-cyclopropyl-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 75532438
2-methyl-1-(2-phenoxyethyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111834188
1,2-dimethyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 75494136
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111839776
1-cyclopropyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 110933580
1-hexyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111835312
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111839632
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111840193
1-cyclohexyl-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 110959230
1-benzyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111546323
1-cyclopentyl-3-[2-(3-fluorophenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 110990204

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide (CID 111335956) is 1-cyclopropyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide is C/N=C(\NCCOc1cccnc1)NC1CC1.I.
What is the InChIKey of 1-cyclopropyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide?
The InChIKey is JZKPLOUPOIXUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O.HI/c1-13-12(16-10-4-5-10)15-7-8-17-11-3-2-6-14-9-11;/h2-3,6,9-10H,4-5,7-8H2,1H3,(H2,13,15,16);1H.
What are the key properties of 1-cyclopropyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide?
1-cyclopropyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide has a molecular weight of 362.22 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide is sourced from PubChem (CID 111335956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).