1-benzyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine

C15H19N3S — CID 110954188

IUPAC1-benzyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
SMILESC/N=C(\NCCc1cccs1)NCc1ccccc1
InChIInChI=1S/C15H19N3S/c1-16-15(17-10-9-14-8-5-11-19-14)18-12-13-6-3-2-4-7-13/h2-8,11H,9-10,12H2,1H3,(H2,16,17,18)
InChIKeyARMOAJAXBNYMRJ-UHFFFAOYSA-N
MW273.41 g/mol
LogP2.66
Rot. Bonds5

About 1-benzyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine

1-benzyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine (PubChem CID 110954188) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is 1-benzyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-benzyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
PubChem CID110954188
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name1-benzyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
SMILESC/N=C(\NCCc1cccs1)NCc1ccccc1
InChIInChI=1S/C15H19N3S/c1-16-15(17-10-9-14-8-5-11-19-14)18-12-13-6-3-2-4-7-13/h2-8,11H,9-10,12H2,1H3,(H2,16,17,18)
InChIKeyARMOAJAXBNYMRJ-UHFFFAOYSA-N
XLogP2.66
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 52.66
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

2-methyl-1-(3-phenylpropyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111199575
2-methyl-1-(2-thiophen-2-ylethyl)-3-(thiophen-3-ylmethyl)guanidine
CID 111349622
2-methyl-1-[(3-methylphenyl)methyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111350315
2-methyl-1-[(4-methylsulfonylphenyl)methyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 111349710
1-[(2-fluorophenyl)methyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111266089
1-[2-(5-iodothiophen-2-yl)ethyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111349158
1-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111350361
2-methyl-1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111349253
2-methyl-1-[(3-nitrophenyl)methyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 111349714
1-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111775484
1-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111349188
2-methyl-1-[(2-phenylmethoxy-3-pyridinyl)methyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111350683

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 1-benzyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine (CID 110954188) is 1-benzyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 1-benzyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 1-benzyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine is C/N=C(\NCCc1cccs1)NCc1ccccc1.
What is the InChIKey of 1-benzyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is ARMOAJAXBNYMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-16-15(17-10-9-14-8-5-11-19-14)18-12-13-6-3-2-4-7-13/h2-8,11H,9-10,12H2,1H3,(H2,16,17,18).
What are the key properties of 1-benzyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine?
1-benzyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 273.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 110954188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).