1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide

C21H37IN4O2 — CID 109390313

IUPAC1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
SMILESCCOC1CC(N/C(=N/C)NCCCCn2ccccc2=O)C1(CC)CC.I
InChIInChI=1S/C21H36N4O2.HI/c1-5-21(6-2)17(16-18(21)27-7-3)24-20(22-4)23-13-9-11-15-25-14-10-8-12-19(25)26;/h8,10,12,14,17-18H,5-7,9,11,13,15-16H2,1-4H3,(H2,22,23,24);1H
InChIKeyNLPJAWIFTXPUOB-UHFFFAOYSA-N
MW504.46 g/mol
LogP3.40
Rot. Bonds10

About 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide

1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide (PubChem CID 109390313) has the molecular formula C21H37IN4O2 and a molecular weight of 504.46 g/mol. Its IUPAC name is 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
PubChem CID109390313
Molecular FormulaC21H37IN4O2
Molecular Weight504.46 g/mol
Exact Mass504.20
IUPAC Name1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
SMILESCCOC1CC(N/C(=N/C)NCCCCn2ccccc2=O)C1(CC)CC.I
InChIInChI=1S/C21H36N4O2.HI/c1-5-21(6-2)17(16-18(21)27-7-3)24-20(22-4)23-13-9-11-15-25-14-10-8-12-19(25)26;/h8,10,12,14,17-18H,5-7,9,11,13,15-16H2,1-4H3,(H2,22,23,24);1H
InChIKeyNLPJAWIFTXPUOB-UHFFFAOYSA-N
XLogP3.40
TPSA67.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.46
LogP ≤ 53.40
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'}

Analyze 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-ethoxy-2,2-diethylcyclobutyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylguanidine
CID 109390956
1,2-dimethyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 75526639
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(3-ethoxy-2,2-diethylcyclobutyl)-2-methylguanidine
CID 109390854
2-methyl-1-[4-(2-oxo-1-pyridinyl)butyl]-3-propan-2-ylguanidine;hydroiodide
CID 111126471
1-(3-ethoxy-2,2-diethylcyclobutyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide
CID 109390421
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 111391148
1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 109390407
1-butan-2-yl-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 110943652
1-(3-ethoxy-2,2-diethylcyclobutyl)-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 109390295
1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine
CID 109390290
1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 109390705
1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-(2-pyridin-3-ylethyl)guanidine
CID 109390662

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide?
The IUPAC name of 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide (CID 109390313) is 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide?
The canonical SMILES for 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide is CCOC1CC(N/C(=N/C)NCCCCn2ccccc2=O)C1(CC)CC.I.
What is the InChIKey of 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide?
The InChIKey is NLPJAWIFTXPUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O2.HI/c1-5-21(6-2)17(16-18(21)27-7-3)24-20(22-4)23-13-9-11-15-25-14-10-8-12-19(25)26;/h8,10,12,14,17-18H,5-7,9,11,13,15-16H2,1-4H3,(H2,22,23,24);1H.
What are the key properties of 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide?
1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide has a molecular weight of 504.46 g/mol, XLogP of 3.40, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide is sourced from PubChem (CID 109390313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).