1-(2,6-diethylphenyl)-2-(2-methylpropyl)guanidine;hydroiodide

C15H26IN3 — CID 110912607

IUPAC1-(2,6-diethylphenyl)-2-(2-methylpropyl)guanidine;hydroiodide
SMILESCCc1cccc(CC)c1N/C(N)=N/CC(C)C.I
InChIInChI=1S/C15H25N3.HI/c1-5-12-8-7-9-13(6-2)14(12)18-15(16)17-10-11(3)4;/h7-9,11H,5-6,10H2,1-4H3,(H3,16,17,18);1H
InChIKeyVOIKLOQMAPGTRC-UHFFFAOYSA-N
MW375.30 g/mol
LogP3.81
Rot. Bonds5

About 1-(2,6-diethylphenyl)-2-(2-methylpropyl)guanidine;hydroiodide

1-(2,6-diethylphenyl)-2-(2-methylpropyl)guanidine;hydroiodide (PubChem CID 110912607) has the molecular formula C15H26IN3 and a molecular weight of 375.30 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-2-(2-methylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-2-(2-methylpropyl)guanidine;hydroiodide
PubChem CID110912607
Molecular FormulaC15H26IN3
Molecular Weight375.30 g/mol
Exact Mass375.12
IUPAC Name1-(2,6-diethylphenyl)-2-(2-methylpropyl)guanidine;hydroiodide
SMILESCCc1cccc(CC)c1N/C(N)=N/CC(C)C.I
InChIInChI=1S/C15H25N3.HI/c1-5-12-8-7-9-13(6-2)14(12)18-15(16)17-10-11(3)4;/h7-9,11H,5-6,10H2,1-4H3,(H3,16,17,18);1H
InChIKeyVOIKLOQMAPGTRC-UHFFFAOYSA-N
XLogP3.81
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

1-(2,6-diethylphenyl)-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111056052
1-(2,6-diethylphenyl)-2-(2-hydroxy-3-phenylpropyl)guanidine
CID 111099800
2-(cyclopropylmethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide
CID 111040778
1-(2,6-diethylphenyl)-2-(4-propan-2-yloxybutyl)guanidine;hydroiodide
CID 110029217
1-(2,6-diethylphenyl)-2-(2-sulfamoylethyl)guanidine
CID 111046599
1-(2,6-diethylphenyl)-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 111022365
1-(2,6-diethylphenyl)-2-[[2-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053928
2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111073638
1-(2,6-diethylphenyl)-2-(3-methylsulfonylpropyl)guanidine;hydroiodide
CID 111067173
N-[4-[2-[[amino-(2,6-diethylanilino)methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111086226
1-(2,6-diethylphenyl)-2-[2-(4-sulfamoylphenyl)ethyl]guanidine;hydroiodide
CID 111024282
2-(2-butoxyethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide
CID 111075012

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-2-(2-methylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-(2,6-diethylphenyl)-2-(2-methylpropyl)guanidine;hydroiodide (CID 110912607) is 1-(2,6-diethylphenyl)-2-(2-methylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(2,6-diethylphenyl)-2-(2-methylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-(2,6-diethylphenyl)-2-(2-methylpropyl)guanidine;hydroiodide is CCc1cccc(CC)c1N/C(N)=N/CC(C)C.I.
What is the InChIKey of 1-(2,6-diethylphenyl)-2-(2-methylpropyl)guanidine;hydroiodide?
The InChIKey is VOIKLOQMAPGTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3.HI/c1-5-12-8-7-9-13(6-2)14(12)18-15(16)17-10-11(3)4;/h7-9,11H,5-6,10H2,1-4H3,(H3,16,17,18);1H.
What are the key properties of 1-(2,6-diethylphenyl)-2-(2-methylpropyl)guanidine;hydroiodide?
1-(2,6-diethylphenyl)-2-(2-methylpropyl)guanidine;hydroiodide has a molecular weight of 375.30 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-2-(2-methylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 110912607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).