1-(3-ethoxy-2,2-diethylcyclobutyl)-2-ethylguanidine;hydroiodide

C13H28IN3O — CID 111824170

IUPAC1-(3-ethoxy-2,2-diethylcyclobutyl)-2-ethylguanidine;hydroiodide
SMILESCC/N=C(\N)NC1CC(OCC)C1(CC)CC.I
InChIInChI=1S/C13H27N3O.HI/c1-5-13(6-2)10(9-11(13)17-8-4)16-12(14)15-7-3;/h10-11H,5-9H2,1-4H3,(H3,14,15,16);1H
InChIKeyXIJSMHLMULVRJP-UHFFFAOYSA-N
MW369.29 g/mol
LogP2.51
Rot. Bonds6

About 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-ethylguanidine;hydroiodide

1-(3-ethoxy-2,2-diethylcyclobutyl)-2-ethylguanidine;hydroiodide (PubChem CID 111824170) has the molecular formula C13H28IN3O and a molecular weight of 369.29 g/mol. Its IUPAC name is 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-ethoxy-2,2-diethylcyclobutyl)-2-ethylguanidine;hydroiodide
PubChem CID111824170
Molecular FormulaC13H28IN3O
Molecular Weight369.29 g/mol
Exact Mass369.13
IUPAC Name1-(3-ethoxy-2,2-diethylcyclobutyl)-2-ethylguanidine;hydroiodide
SMILESCC/N=C(\N)NC1CC(OCC)C1(CC)CC.I
InChIInChI=1S/C13H27N3O.HI/c1-5-13(6-2)10(9-11(13)17-8-4)16-12(14)15-7-3;/h10-11H,5-9H2,1-4H3,(H3,14,15,16);1H
InChIKeyXIJSMHLMULVRJP-UHFFFAOYSA-N
XLogP2.51
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-ethylguanidine;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-dimethylcyclobutyl)-2-ethylguanidine
CID 103734487
3-[[[(3-ethoxy-2,2-diethylcyclobutyl)amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 109390645
trans-(1R,3R)-3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine
CID 95781902
1-amino-N-(3-ethoxy-2,2-diethylcyclobutyl)cyclopentane-1-carboxamide
CID 119344173
2-(cyclobutylmethyl)-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine;hydroiodide
CID 111819901
4-[[[[(3-ethoxy-2,2-diethylcyclobutyl)amino]-(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 109390559
(2S)-2-amino-N-(3-ethoxy-2,2-diethylcyclobutyl)-4-methylsulfanylbutanamide
CID 119344167
N-(3-ethoxy-2,2-diethylcyclobutyl)piperidine-3-carboxamide
CID 119344181
1-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-2-ethylguanidine
CID 122099416
methyl 3-[[N-(3-ethoxy-2,2-diethylcyclobutyl)-N'-methylcarbamimidoyl]amino]-2-methylpropanoate;hydroiodide
CID 109390769
2-[[[(3-ethoxy-2,2-diethylcyclobutyl)amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 109390574
(3S)-N-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]morpholine-3-carboxamide
CID 124683276

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-ethylguanidine;hydroiodide?
The IUPAC name of 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-ethylguanidine;hydroiodide (CID 111824170) is 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-ethylguanidine;hydroiodide.
What is the SMILES notation for 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-ethylguanidine;hydroiodide?
The canonical SMILES for 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-ethylguanidine;hydroiodide is CC/N=C(\N)NC1CC(OCC)C1(CC)CC.I.
What is the InChIKey of 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-ethylguanidine;hydroiodide?
The InChIKey is XIJSMHLMULVRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.HI/c1-5-13(6-2)10(9-11(13)17-8-4)16-12(14)15-7-3;/h10-11H,5-9H2,1-4H3,(H3,14,15,16);1H.
What are the key properties of 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-ethylguanidine;hydroiodide?
1-(3-ethoxy-2,2-diethylcyclobutyl)-2-ethylguanidine;hydroiodide has a molecular weight of 369.29 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-ethylguanidine;hydroiodide is sourced from PubChem (CID 111824170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).