2-(2-cycloheptyloxyethyl)-1-pyridin-2-ylguanidine;hydroiodide

C15H25IN4O — CID 119147770

IUPAC2-(2-cycloheptyloxyethyl)-1-pyridin-2-ylguanidine;hydroiodide
SMILESI.N/C(=N\CCOC1CCCCCC1)Nc1ccccn1
InChIInChI=1S/C15H24N4O.HI/c16-15(19-14-9-5-6-10-17-14)18-11-12-20-13-7-3-1-2-4-8-13;/h5-6,9-10,13H,1-4,7-8,11-12H2,(H3,16,17,18,19);1H
InChIKeySXQFFPUKZNAPCP-UHFFFAOYSA-N
MW404.30 g/mol
LogP3.17
Rot. Bonds5

About 2-(2-cycloheptyloxyethyl)-1-pyridin-2-ylguanidine;hydroiodide

2-(2-cycloheptyloxyethyl)-1-pyridin-2-ylguanidine;hydroiodide (PubChem CID 119147770) has the molecular formula C15H25IN4O and a molecular weight of 404.30 g/mol. Its IUPAC name is 2-(2-cycloheptyloxyethyl)-1-pyridin-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-cycloheptyloxyethyl)-1-pyridin-2-ylguanidine;hydroiodide
PubChem CID119147770
Molecular FormulaC15H25IN4O
Molecular Weight404.30 g/mol
Exact Mass404.11
IUPAC Name2-(2-cycloheptyloxyethyl)-1-pyridin-2-ylguanidine;hydroiodide
SMILESI.N/C(=N\CCOC1CCCCCC1)Nc1ccccn1
InChIInChI=1S/C15H24N4O.HI/c16-15(19-14-9-5-6-10-17-14)18-11-12-20-13-7-3-1-2-4-8-13;/h5-6,9-10,13H,1-4,7-8,11-12H2,(H3,16,17,18,19);1H
InChIKeySXQFFPUKZNAPCP-UHFFFAOYSA-N
XLogP3.17
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 53.17
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-(2-cycloheptyloxyethyl)-1-phenylguanidine;hydroiodide
CID 111428491
2-(2-cycloheptyloxyethyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111575875
2-(2-cycloheptyloxyethyl)-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111812536
2-[(2-hydroxycyclopentyl)methyl]-1-pyridin-2-ylguanidine
CID 119146849
2-(2-cycloheptyloxyethyl)-1-(3,4-dimethoxyphenyl)guanidine
CID 111812561
2-(2-cycloheptyloxyethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111812567
2-[(1-hydroxycyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119146788
1-tert-butyl-2-(2-cycloheptyloxyethyl)guanidine
CID 111812597
2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120662941
2-(2-cyclohexyloxyethyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)guanidine;hydroiodide
CID 119120195
2-(2-cyclohexyloxyethyl)-1-cyclopropylguanidine
CID 62406041
2-[(4,4-difluorocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120762620

Frequently Asked Questions

What is the IUPAC name of 2-(2-cycloheptyloxyethyl)-1-pyridin-2-ylguanidine;hydroiodide?
The IUPAC name of 2-(2-cycloheptyloxyethyl)-1-pyridin-2-ylguanidine;hydroiodide (CID 119147770) is 2-(2-cycloheptyloxyethyl)-1-pyridin-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-(2-cycloheptyloxyethyl)-1-pyridin-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-(2-cycloheptyloxyethyl)-1-pyridin-2-ylguanidine;hydroiodide is I.N/C(=N\CCOC1CCCCCC1)Nc1ccccn1.
What is the InChIKey of 2-(2-cycloheptyloxyethyl)-1-pyridin-2-ylguanidine;hydroiodide?
The InChIKey is SXQFFPUKZNAPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O.HI/c16-15(19-14-9-5-6-10-17-14)18-11-12-20-13-7-3-1-2-4-8-13;/h5-6,9-10,13H,1-4,7-8,11-12H2,(H3,16,17,18,19);1H.
What are the key properties of 2-(2-cycloheptyloxyethyl)-1-pyridin-2-ylguanidine;hydroiodide?
2-(2-cycloheptyloxyethyl)-1-pyridin-2-ylguanidine;hydroiodide has a molecular weight of 404.30 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cycloheptyloxyethyl)-1-pyridin-2-ylguanidine;hydroiodide is sourced from PubChem (CID 119147770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).