2-(2-ethyl-2-hydroxybutyl)-1-(4-ethylphenyl)guanidine

C15H25N3O — CID 111089067

IUPAC2-(2-ethyl-2-hydroxybutyl)-1-(4-ethylphenyl)guanidine
SMILESCCc1ccc(N/C(N)=N/CC(O)(CC)CC)cc1
InChIInChI=1S/C15H25N3O/c1-4-12-7-9-13(10-8-12)18-14(16)17-11-15(19,5-2)6-3/h7-10,19H,4-6,11H2,1-3H3,(H3,16,17,18)
InChIKeyQTLUPFPXHVFVBZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.53
Rot. Bonds6

About 2-(2-ethyl-2-hydroxybutyl)-1-(4-ethylphenyl)guanidine

2-(2-ethyl-2-hydroxybutyl)-1-(4-ethylphenyl)guanidine (PubChem CID 111089067) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(2-ethyl-2-hydroxybutyl)-1-(4-ethylphenyl)guanidine.

Molecular Properties

Compound Name2-(2-ethyl-2-hydroxybutyl)-1-(4-ethylphenyl)guanidine
PubChem CID111089067
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(2-ethyl-2-hydroxybutyl)-1-(4-ethylphenyl)guanidine
SMILESCCc1ccc(N/C(N)=N/CC(O)(CC)CC)cc1
InChIInChI=1S/C15H25N3O/c1-4-12-7-9-13(10-8-12)18-14(16)17-11-15(19,5-2)6-3/h7-10,19H,4-6,11H2,1-3H3,(H3,16,17,18)
InChIKeyQTLUPFPXHVFVBZ-UHFFFAOYSA-N
XLogP2.53
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-[[amino-(4-ethylanilino)methylidene]amino]-2-methylpropan-2-yl]carbamate;hydroiodide
CID 111757740
1-(4-ethylphenyl)-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111823834
1-(4-ethylphenyl)-2-prop-2-enylguanidine;hydroiodide
CID 111023973
2-(2-ethyl-2-hydroxybutyl)-1-(3-phenoxyphenyl)guanidine
CID 111599830
2-[(4-cyanophenyl)methyl]-1-(4-ethylphenyl)guanidine;hydroiodide
CID 111052316
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]acetamide;hydroiodide
CID 111027931
2-[[amino-(4-ethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119117591
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723
1-tert-butyl-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide
CID 111089051
2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclopropylacetamide
CID 111034665
3-[[amino-(4-ethylanilino)methylidene]amino]-N-propylpropanamide
CID 111077891
2-[2-(3,5-difluorophenyl)ethyl]-1-(4-ethylphenyl)guanidine
CID 111090301

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-2-hydroxybutyl)-1-(4-ethylphenyl)guanidine?
The IUPAC name of 2-(2-ethyl-2-hydroxybutyl)-1-(4-ethylphenyl)guanidine (CID 111089067) is 2-(2-ethyl-2-hydroxybutyl)-1-(4-ethylphenyl)guanidine.
What is the SMILES notation for 2-(2-ethyl-2-hydroxybutyl)-1-(4-ethylphenyl)guanidine?
The canonical SMILES for 2-(2-ethyl-2-hydroxybutyl)-1-(4-ethylphenyl)guanidine is CCc1ccc(N/C(N)=N/CC(O)(CC)CC)cc1.
What is the InChIKey of 2-(2-ethyl-2-hydroxybutyl)-1-(4-ethylphenyl)guanidine?
The InChIKey is QTLUPFPXHVFVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-12-7-9-13(10-8-12)18-14(16)17-11-15(19,5-2)6-3/h7-10,19H,4-6,11H2,1-3H3,(H3,16,17,18).
What are the key properties of 2-(2-ethyl-2-hydroxybutyl)-1-(4-ethylphenyl)guanidine?
2-(2-ethyl-2-hydroxybutyl)-1-(4-ethylphenyl)guanidine has a molecular weight of 263.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-2-hydroxybutyl)-1-(4-ethylphenyl)guanidine is sourced from PubChem (CID 111089067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).