2-benzyl-1-(2-ethoxyethyl)-3-ethylguanidine

C14H23N3O — CID 110954950

IUPAC2-benzyl-1-(2-ethoxyethyl)-3-ethylguanidine
SMILESCCN/C(=N\Cc1ccccc1)NCCOCC
InChIInChI=1S/C14H23N3O/c1-3-15-14(16-10-11-18-4-2)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H2,15,16,17)
InChIKeyQFEODLCTDVYUFX-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.78
Rot. Bonds7

About 2-benzyl-1-(2-ethoxyethyl)-3-ethylguanidine

2-benzyl-1-(2-ethoxyethyl)-3-ethylguanidine (PubChem CID 110954950) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-benzyl-1-(2-ethoxyethyl)-3-ethylguanidine.

Molecular Properties

Compound Name2-benzyl-1-(2-ethoxyethyl)-3-ethylguanidine
PubChem CID110954950
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-benzyl-1-(2-ethoxyethyl)-3-ethylguanidine
SMILESCCN/C(=N\Cc1ccccc1)NCCOCC
InChIInChI=1S/C14H23N3O/c1-3-15-14(16-10-11-18-4-2)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H2,15,16,17)
InChIKeyQFEODLCTDVYUFX-UHFFFAOYSA-N
XLogP1.78
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.78
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'}

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Related Compounds

2-benzyl-1-ethyl-3-(2-phenylmethoxyethyl)guanidine
CID 111963897
1-(2-ethoxyethyl)-3-ethyl-2-[(3-methylphenyl)methyl]guanidine
CID 111895195
1-(2-ethoxyethyl)-3-ethyl-2-[(3-fluorophenyl)methyl]guanidine
CID 111876017
1-(2-ethoxyethyl)-3-ethyl-2-[[2-(phenylmethoxymethyl)phenyl]methyl]guanidine
CID 111896537
2-[(4-cyanophenyl)methyl]-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111896871
2-[[3-[(dimethylamino)methyl]phenyl]methyl]-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111896807
1-(2-ethoxyethyl)-3-ethyl-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 75420924
4-[[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]methyl]-N-ethylbenzamide;hydroiodide
CID 111894990
2-[(3-cyanophenyl)methyl]-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111896149
1,3-diethyl-2-[[4-(phenylmethoxymethyl)phenyl]methyl]guanidine
CID 110925501
2-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-ethyl-3-(2-phenylethyl)guanidine
CID 111135717
N-[3-[[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]methyl]phenyl]acetamide
CID 111896011

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(2-ethoxyethyl)-3-ethylguanidine?
The IUPAC name of 2-benzyl-1-(2-ethoxyethyl)-3-ethylguanidine (CID 110954950) is 2-benzyl-1-(2-ethoxyethyl)-3-ethylguanidine.
What is the SMILES notation for 2-benzyl-1-(2-ethoxyethyl)-3-ethylguanidine?
The canonical SMILES for 2-benzyl-1-(2-ethoxyethyl)-3-ethylguanidine is CCN/C(=N\Cc1ccccc1)NCCOCC.
What is the InChIKey of 2-benzyl-1-(2-ethoxyethyl)-3-ethylguanidine?
The InChIKey is QFEODLCTDVYUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-15-14(16-10-11-18-4-2)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-benzyl-1-(2-ethoxyethyl)-3-ethylguanidine?
2-benzyl-1-(2-ethoxyethyl)-3-ethylguanidine has a molecular weight of 249.36 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(2-ethoxyethyl)-3-ethylguanidine is sourced from PubChem (CID 110954950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).