2-(2,2-diphenylethyl)-1,3-diethylguanidine

C19H25N3 — CID 110924816

IUPAC2-(2,2-diphenylethyl)-1,3-diethylguanidine
SMILESCCNC(=NCC(c1ccccc1)c1ccccc1)NCC
InChIInChI=1S/C19H25N3/c1-3-20-19(21-4-2)22-15-18(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18H,3-4,15H2,1-2H3,(H2,20,21,22)
InChIKeyVMHMUVSEHVVXJW-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.39
Rot. Bonds6

About 2-(2,2-diphenylethyl)-1,3-diethylguanidine

2-(2,2-diphenylethyl)-1,3-diethylguanidine (PubChem CID 110924816) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(2,2-diphenylethyl)-1,3-diethylguanidine.

Molecular Properties

Compound Name2-(2,2-diphenylethyl)-1,3-diethylguanidine
PubChem CID110924816
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name2-(2,2-diphenylethyl)-1,3-diethylguanidine
SMILESCCNC(=NCC(c1ccccc1)c1ccccc1)NCC
InChIInChI=1S/C19H25N3/c1-3-20-19(21-4-2)22-15-18(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18H,3-4,15H2,1-2H3,(H2,20,21,22)
InChIKeyVMHMUVSEHVVXJW-UHFFFAOYSA-N
XLogP3.39
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.39
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'}

Analyze 2-(2,2-diphenylethyl)-1,3-diethylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-2-(2,2-diphenylethyl)-3-ethylguanidine;hydroiodide
CID 110989018
2-(2,2-diphenylethyl)-1-ethylguanidine
CID 111031160
2-(2,2-diphenylethyl)-1-ethyl-3-[2-(methanesulfonamido)ethyl]guanidine;hydroiodide
CID 111356789
2-[2-(dimethylamino)-2-phenylethyl]-1,3-diethylguanidine;hydroiodide
CID 110924919
2-(2,2-diphenylethyl)-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine
CID 111356952
2-(2,2-diphenylethyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 111356985
2-(2,2-diphenylethyl)-1-ethyl-3-[4-(1,2,4-triazol-4-yl)butyl]guanidine
CID 111516873
1,3-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 110924778
2-(2,2-diphenylethyl)-1-ethyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111357126
2-(2,2-diphenylethyl)-1-ethyl-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]guanidine;hydroiodide
CID 111516876
1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-(2,2-diphenylethyl)-3-ethylguanidine;hydroiodide
CID 109392523
N-[2-[[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111343083

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylethyl)-1,3-diethylguanidine?
The IUPAC name of 2-(2,2-diphenylethyl)-1,3-diethylguanidine (CID 110924816) is 2-(2,2-diphenylethyl)-1,3-diethylguanidine.
What is the SMILES notation for 2-(2,2-diphenylethyl)-1,3-diethylguanidine?
The canonical SMILES for 2-(2,2-diphenylethyl)-1,3-diethylguanidine is CCNC(=NCC(c1ccccc1)c1ccccc1)NCC.
What is the InChIKey of 2-(2,2-diphenylethyl)-1,3-diethylguanidine?
The InChIKey is VMHMUVSEHVVXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-3-20-19(21-4-2)22-15-18(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18H,3-4,15H2,1-2H3,(H2,20,21,22).
What are the key properties of 2-(2,2-diphenylethyl)-1,3-diethylguanidine?
2-(2,2-diphenylethyl)-1,3-diethylguanidine has a molecular weight of 295.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylethyl)-1,3-diethylguanidine is sourced from PubChem (CID 110924816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).