2-[2-(diethylamino)-2-phenylethyl]-1-ethylguanidine

C15H26N4 — CID 55064143

IUPAC2-[2-(diethylamino)-2-phenylethyl]-1-ethylguanidine
SMILESCCN/C(N)=N/CC(c1ccccc1)N(CC)CC
InChIInChI=1S/C15H26N4/c1-4-17-15(16)18-12-14(19(5-2)6-3)13-10-8-7-9-11-13/h7-11,14H,4-6,12H2,1-3H3,(H3,16,17,18)
InChIKeyYAPKIOJUWWGEGQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.99
Rot. Bonds7

About 2-[2-(diethylamino)-2-phenylethyl]-1-ethylguanidine

2-[2-(diethylamino)-2-phenylethyl]-1-ethylguanidine (PubChem CID 55064143) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[2-(diethylamino)-2-phenylethyl]-1-ethylguanidine.

Molecular Properties

Compound Name2-[2-(diethylamino)-2-phenylethyl]-1-ethylguanidine
PubChem CID55064143
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name2-[2-(diethylamino)-2-phenylethyl]-1-ethylguanidine
SMILESCCN/C(N)=N/CC(c1ccccc1)N(CC)CC
InChIInChI=1S/C15H26N4/c1-4-17-15(16)18-12-14(19(5-2)6-3)13-10-8-7-9-11-13/h7-11,14H,4-6,12H2,1-3H3,(H3,16,17,18)
InChIKeyYAPKIOJUWWGEGQ-UHFFFAOYSA-N
XLogP1.99
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
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

1-[2-(diethylamino)-2-phenylethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 110912032
2-(2,2-diphenylethyl)-1-ethylguanidine
CID 111031160
1-ethyl-2-(2-phenylpropyl)guanidine
CID 115612304
2-[2-(diethylamino)-2-phenylethyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111029708
2-[2-(diethylamino)-2-phenylethyl]-1-ethyl-3-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111011334
N-[2-[[N'-[2-(diethylamino)-2-phenylethyl]-N-ethylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111011003
2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine;hydroiodide
CID 111037503
2-[2-(dimethylamino)-2-phenylethyl]-1,3-diethylguanidine;hydroiodide
CID 110924919
2-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-1-propylguanidine
CID 111029196
1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-(3-hydroxy-2-methylpropyl)guanidine
CID 111011337
2-[2-(diethylamino)-2-phenylethyl]-1-ethyl-3-[3-[ethylsulfonyl(methyl)amino]propyl]guanidine;hydroiodide
CID 111011066
2-[2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylguanidine
CID 111026200

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)-2-phenylethyl]-1-ethylguanidine?
The IUPAC name of 2-[2-(diethylamino)-2-phenylethyl]-1-ethylguanidine (CID 55064143) is 2-[2-(diethylamino)-2-phenylethyl]-1-ethylguanidine.
What is the SMILES notation for 2-[2-(diethylamino)-2-phenylethyl]-1-ethylguanidine?
The canonical SMILES for 2-[2-(diethylamino)-2-phenylethyl]-1-ethylguanidine is CCN/C(N)=N/CC(c1ccccc1)N(CC)CC.
What is the InChIKey of 2-[2-(diethylamino)-2-phenylethyl]-1-ethylguanidine?
The InChIKey is YAPKIOJUWWGEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-17-15(16)18-12-14(19(5-2)6-3)13-10-8-7-9-11-13/h7-11,14H,4-6,12H2,1-3H3,(H3,16,17,18).
What are the key properties of 2-[2-(diethylamino)-2-phenylethyl]-1-ethylguanidine?
2-[2-(diethylamino)-2-phenylethyl]-1-ethylguanidine has a molecular weight of 262.40 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)-2-phenylethyl]-1-ethylguanidine is sourced from PubChem (CID 55064143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).