1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide

C17H29IN4O — CID 109470687

IUPAC1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccnc(OC)c1)NCC1(CC)CCC1.I
InChIInChI=1S/C17H28N4O.HI/c1-4-17(8-6-9-17)13-21-16(18-5-2)20-12-14-7-10-19-15(11-14)22-3;/h7,10-11H,4-6,8-9,12-13H2,1-3H3,(H2,18,20,21);1H
InChIKeyILYZTOHIRWORGZ-UHFFFAOYSA-N
MW432.35 g/mol
LogP3.34
Rot. Bonds7

About 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide

1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide (PubChem CID 109470687) has the molecular formula C17H29IN4O and a molecular weight of 432.35 g/mol. Its IUPAC name is 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide
PubChem CID109470687
Molecular FormulaC17H29IN4O
Molecular Weight432.35 g/mol
Exact Mass432.14
IUPAC Name1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccnc(OC)c1)NCC1(CC)CCC1.I
InChIInChI=1S/C17H28N4O.HI/c1-4-17(8-6-9-17)13-21-16(18-5-2)20-12-14-7-10-19-15(11-14)22-3;/h7,10-11H,4-6,8-9,12-13H2,1-3H3,(H2,18,20,21);1H
InChIKeyILYZTOHIRWORGZ-UHFFFAOYSA-N
XLogP3.34
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(dimethylamino)-4-pyridinyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide
CID 109468568
1-ethyl-2-[(2-methoxy-4-pyridinyl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111004388
1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[(2-imidazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 109470851
1-ethyl-2-[(2-methoxy-4-pyridinyl)methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111126705
1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[[4-(2-methoxyethoxy)phenyl]methyl]guanidine
CID 109470854
1-ethyl-2-[(2-methoxy-4-pyridinyl)methyl]-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111006588
1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[(3-nitrophenyl)methyl]guanidine
CID 109469171
1-ethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111535772
1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 109470809
1-ethyl-2-[(2-methoxy-4-pyridinyl)methyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111191505
1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 109417897
1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide
CID 109470185

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide (CID 109470687) is 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide is CCN/C(=N\Cc1ccnc(OC)c1)NCC1(CC)CCC1.I.
What is the InChIKey of 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide?
The InChIKey is ILYZTOHIRWORGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.HI/c1-4-17(8-6-9-17)13-21-16(18-5-2)20-12-14-7-10-19-15(11-14)22-3;/h7,10-11H,4-6,8-9,12-13H2,1-3H3,(H2,18,20,21);1H.
What are the key properties of 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide?
1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide has a molecular weight of 432.35 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 109470687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).