1-(2,6-diethylphenyl)-2-(4-propan-2-yloxybutyl)guanidine;hydroiodide

C18H32IN3O — CID 110029217

IUPAC1-(2,6-diethylphenyl)-2-(4-propan-2-yloxybutyl)guanidine;hydroiodide
SMILESCCc1cccc(CC)c1N/C(N)=N/CCCCOC(C)C.I
InChIInChI=1S/C18H31N3O.HI/c1-5-15-10-9-11-16(6-2)17(15)21-18(19)20-12-7-8-13-22-14(3)4;/h9-11,14H,5-8,12-13H2,1-4H3,(H3,19,20,21);1H
InChIKeyGMXNDYWPIRVJOF-UHFFFAOYSA-N
MW433.38 g/mol
LogP4.36
Rot. Bonds9

About 1-(2,6-diethylphenyl)-2-(4-propan-2-yloxybutyl)guanidine;hydroiodide

1-(2,6-diethylphenyl)-2-(4-propan-2-yloxybutyl)guanidine;hydroiodide (PubChem CID 110029217) has the molecular formula C18H32IN3O and a molecular weight of 433.38 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-2-(4-propan-2-yloxybutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-2-(4-propan-2-yloxybutyl)guanidine;hydroiodide
PubChem CID110029217
Molecular FormulaC18H32IN3O
Molecular Weight433.38 g/mol
Exact Mass433.16
IUPAC Name1-(2,6-diethylphenyl)-2-(4-propan-2-yloxybutyl)guanidine;hydroiodide
SMILESCCc1cccc(CC)c1N/C(N)=N/CCCCOC(C)C.I
InChIInChI=1S/C18H31N3O.HI/c1-5-15-10-9-11-16(6-2)17(15)21-18(19)20-12-7-8-13-22-14(3)4;/h9-11,14H,5-8,12-13H2,1-4H3,(H3,19,20,21);1H
InChIKeyGMXNDYWPIRVJOF-UHFFFAOYSA-N
XLogP4.36
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.38
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2,6-diethylphenyl)-2-(4-propan-2-yloxybutyl)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-ethylphenyl)-2-(4-propan-2-yloxybutyl)guanidine
CID 110029222
2-(2-butoxyethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide
CID 111075012
1-(2,6-diethylphenyl)-2-(2-methylpropyl)guanidine;hydroiodide
CID 110912607
1-(2,6-diethylphenyl)-2-(3-methylsulfonylpropyl)guanidine;hydroiodide
CID 111067173
2-[2-(2-butoxyethoxy)ethyl]-1-(2,6-diethylphenyl)guanidine
CID 111821789
2-[3-(benzenesulfonyl)propyl]-1-(2,6-diethylphenyl)guanidine;hydroiodide
CID 111085320
1-(2,6-diethylphenyl)-2-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111818460
1-(2,6-diethylphenyl)-2-(2-sulfamoylethyl)guanidine
CID 111046599
bis(1-(N'-butylcarbamimidoyl)-3-(2,6-diethylphenyl)urea);1-(2,6-diethylphenyl)-3-(N'-pentylcarbamimidoyl)urea
CID 163626796
1-(2,6-diethylphenyl)-2-[2-(2-methylsulfonylethoxy)ethyl]guanidine
CID 111819758
N-[4-[2-[[amino-(2,6-diethylanilino)methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111086226
2-(3-benzylsulfonylpropyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide
CID 111065199

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-2-(4-propan-2-yloxybutyl)guanidine;hydroiodide?
The IUPAC name of 1-(2,6-diethylphenyl)-2-(4-propan-2-yloxybutyl)guanidine;hydroiodide (CID 110029217) is 1-(2,6-diethylphenyl)-2-(4-propan-2-yloxybutyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(2,6-diethylphenyl)-2-(4-propan-2-yloxybutyl)guanidine;hydroiodide?
The canonical SMILES for 1-(2,6-diethylphenyl)-2-(4-propan-2-yloxybutyl)guanidine;hydroiodide is CCc1cccc(CC)c1N/C(N)=N/CCCCOC(C)C.I.
What is the InChIKey of 1-(2,6-diethylphenyl)-2-(4-propan-2-yloxybutyl)guanidine;hydroiodide?
The InChIKey is GMXNDYWPIRVJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O.HI/c1-5-15-10-9-11-16(6-2)17(15)21-18(19)20-12-7-8-13-22-14(3)4;/h9-11,14H,5-8,12-13H2,1-4H3,(H3,19,20,21);1H.
What are the key properties of 1-(2,6-diethylphenyl)-2-(4-propan-2-yloxybutyl)guanidine;hydroiodide?
1-(2,6-diethylphenyl)-2-(4-propan-2-yloxybutyl)guanidine;hydroiodide has a molecular weight of 433.38 g/mol, XLogP of 4.36, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-2-(4-propan-2-yloxybutyl)guanidine;hydroiodide is sourced from PubChem (CID 110029217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).