2-[2-(2-butoxyethoxy)ethyl]-1-(2,6-diethylphenyl)guanidine

C19H33N3O2 — CID 111821789

IUPAC2-[2-(2-butoxyethoxy)ethyl]-1-(2,6-diethylphenyl)guanidine
SMILESCCCCOCCOCC/N=C(\N)Nc1c(CC)cccc1CC
InChIInChI=1S/C19H33N3O2/c1-4-7-12-23-14-15-24-13-11-21-19(20)22-18-16(5-2)9-8-10-17(18)6-3/h8-10H,4-7,11-15H2,1-3H3,(H3,20,21,22)
InChIKeyOCUWZTNEXQWOBM-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.37
Rot. Bonds12

About 2-[2-(2-butoxyethoxy)ethyl]-1-(2,6-diethylphenyl)guanidine

2-[2-(2-butoxyethoxy)ethyl]-1-(2,6-diethylphenyl)guanidine (PubChem CID 111821789) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 2-[2-(2-butoxyethoxy)ethyl]-1-(2,6-diethylphenyl)guanidine.

Molecular Properties

Compound Name2-[2-(2-butoxyethoxy)ethyl]-1-(2,6-diethylphenyl)guanidine
PubChem CID111821789
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name2-[2-(2-butoxyethoxy)ethyl]-1-(2,6-diethylphenyl)guanidine
SMILESCCCCOCCOCC/N=C(\N)Nc1c(CC)cccc1CC
InChIInChI=1S/C19H33N3O2/c1-4-7-12-23-14-15-24-13-11-21-19(20)22-18-16(5-2)9-8-10-17(18)6-3/h8-10H,4-7,11-15H2,1-3H3,(H3,20,21,22)
InChIKeyOCUWZTNEXQWOBM-UHFFFAOYSA-N
XLogP3.37
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-(2-butoxyethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide
CID 111075012
1-(2,6-diethylphenyl)-2-[2-(2-methylsulfonylethoxy)ethyl]guanidine
CID 111819758
2-[2-(2-butoxyethoxy)ethyl]-1-(3-methylphenyl)guanidine
CID 111821799
2-[2-(2-butoxyethoxy)ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide
CID 111821812
2-[2-(2-butoxyethoxy)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111821840
1-(2,6-diethylphenyl)-2-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111818460
1-(2,6-diethylphenyl)-2-(4-propan-2-yloxybutyl)guanidine;hydroiodide
CID 110029217
1-(2,6-diethylphenyl)-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111036000
2-(cyclopropylmethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide
CID 111040778
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-(3-methylsulfonylpropyl)guanidine;hydroiodide
CID 111067173

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxyethoxy)ethyl]-1-(2,6-diethylphenyl)guanidine?
The IUPAC name of 2-[2-(2-butoxyethoxy)ethyl]-1-(2,6-diethylphenyl)guanidine (CID 111821789) is 2-[2-(2-butoxyethoxy)ethyl]-1-(2,6-diethylphenyl)guanidine.
What is the SMILES notation for 2-[2-(2-butoxyethoxy)ethyl]-1-(2,6-diethylphenyl)guanidine?
The canonical SMILES for 2-[2-(2-butoxyethoxy)ethyl]-1-(2,6-diethylphenyl)guanidine is CCCCOCCOCC/N=C(\N)Nc1c(CC)cccc1CC.
What is the InChIKey of 2-[2-(2-butoxyethoxy)ethyl]-1-(2,6-diethylphenyl)guanidine?
The InChIKey is OCUWZTNEXQWOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-4-7-12-23-14-15-24-13-11-21-19(20)22-18-16(5-2)9-8-10-17(18)6-3/h8-10H,4-7,11-15H2,1-3H3,(H3,20,21,22).
What are the key properties of 2-[2-(2-butoxyethoxy)ethyl]-1-(2,6-diethylphenyl)guanidine?
2-[2-(2-butoxyethoxy)ethyl]-1-(2,6-diethylphenyl)guanidine has a molecular weight of 335.49 g/mol, XLogP of 3.37, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxyethoxy)ethyl]-1-(2,6-diethylphenyl)guanidine is sourced from PubChem (CID 111821789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).