2-[(4-ethenylphenyl)methyl]-1,1,3,3-tetramethylguanidine

C14H21N3 — CID 101376340

IUPAC2-[(4-ethenylphenyl)methyl]-1,1,3,3-tetramethylguanidine
SMILESC=Cc1ccc(CN=C(N(C)C)N(C)C)cc1
InChIInChI=1S/C14H21N3/c1-6-12-7-9-13(10-8-12)11-15-14(16(2)3)17(4)5/h6-10H,1,11H2,2-5H3
InChIKeyJRNOZISBYKNHMV-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.31
Rot. Bonds3

About 2-[(4-ethenylphenyl)methyl]-1,1,3,3-tetramethylguanidine

2-[(4-ethenylphenyl)methyl]-1,1,3,3-tetramethylguanidine (PubChem CID 101376340) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[(4-ethenylphenyl)methyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[(4-ethenylphenyl)methyl]-1,1,3,3-tetramethylguanidine
PubChem CID101376340
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-[(4-ethenylphenyl)methyl]-1,1,3,3-tetramethylguanidine
SMILESC=Cc1ccc(CN=C(N(C)C)N(C)C)cc1
InChIInChI=1S/C14H21N3/c1-6-12-7-9-13(10-8-12)11-15-14(16(2)3)17(4)5/h6-10H,1,11H2,2-5H3
InChIKeyJRNOZISBYKNHMV-UHFFFAOYSA-N
XLogP2.31
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
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-[(4-ethenylphenyl)methyl]-1,1,3,3-tetramethylguanidine 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

4-[[bis(dimethylamino)methylideneamino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111040962
1,1,3,3-tetramethyl-2-[(4-nitrophenyl)methyl]guanidine;hydroiodide
CID 111064851
1,1,3,3-tetramethyl-2-[[4-(methylsulfamoyl)phenyl]methyl]guanidine
CID 111046428
1,1,3,3-tetramethyl-2-[[4-(methylsulfamoylmethyl)phenyl]methyl]guanidine
CID 111037892
1,1,3,3-tetramethyl-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111046282
1-ethenyl-4-(isothiocyanatomethyl)benzene
CID 101237387
1,4-bis[(4-ethenylphenyl)methyl]benzene
CID 20738932
1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene
CID 163649628
2-[(6-methoxy-3-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine
CID 111038740
1,1,3,3-tetramethyl-2-[(1-methylpyrrol-3-yl)methyl]guanidine;hydroiodide
CID 111721802
1-[(4-ethenylphenyl)methyl]-1-methylurea
CID 91376596
1-ethenyl-4-(2-methylbut-2-enyl)benzene
CID 139941573

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethenylphenyl)methyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[(4-ethenylphenyl)methyl]-1,1,3,3-tetramethylguanidine (CID 101376340) is 2-[(4-ethenylphenyl)methyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[(4-ethenylphenyl)methyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[(4-ethenylphenyl)methyl]-1,1,3,3-tetramethylguanidine is C=Cc1ccc(CN=C(N(C)C)N(C)C)cc1.
What is the InChIKey of 2-[(4-ethenylphenyl)methyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is JRNOZISBYKNHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-6-12-7-9-13(10-8-12)11-15-14(16(2)3)17(4)5/h6-10H,1,11H2,2-5H3.
What are the key properties of 2-[(4-ethenylphenyl)methyl]-1,1,3,3-tetramethylguanidine?
2-[(4-ethenylphenyl)methyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 231.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethenylphenyl)methyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 101376340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).