2-[2-methyl-2-(1-phenylethylamino)propyl]-1-(2-thiophen-2-ylethyl)guanidine

C19H28N4S — CID 111803927

IUPAC2-[2-methyl-2-(1-phenylethylamino)propyl]-1-(2-thiophen-2-ylethyl)guanidine
SMILESCC(NC(C)(C)C/N=C(\N)NCCc1cccs1)c1ccccc1
InChIInChI=1S/C19H28N4S/c1-15(16-8-5-4-6-9-16)23-19(2,3)14-22-18(20)21-12-11-17-10-7-13-24-17/h4-10,13,15,23H,11-12,14H2,1-3H3,(H3,20,21,22)
InChIKeyVLPQZSLFLYTVOX-UHFFFAOYSA-N
MW344.53 g/mol
LogP3.32
Rot. Bonds8

About 2-[2-methyl-2-(1-phenylethylamino)propyl]-1-(2-thiophen-2-ylethyl)guanidine

2-[2-methyl-2-(1-phenylethylamino)propyl]-1-(2-thiophen-2-ylethyl)guanidine (PubChem CID 111803927) has the molecular formula C19H28N4S and a molecular weight of 344.53 g/mol. Its IUPAC name is 2-[2-methyl-2-(1-phenylethylamino)propyl]-1-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-[2-methyl-2-(1-phenylethylamino)propyl]-1-(2-thiophen-2-ylethyl)guanidine
PubChem CID111803927
Molecular FormulaC19H28N4S
Molecular Weight344.53 g/mol
Exact Mass344.20
IUPAC Name2-[2-methyl-2-(1-phenylethylamino)propyl]-1-(2-thiophen-2-ylethyl)guanidine
SMILESCC(NC(C)(C)C/N=C(\N)NCCc1cccs1)c1ccccc1
InChIInChI=1S/C19H28N4S/c1-15(16-8-5-4-6-9-16)23-19(2,3)14-22-18(20)21-12-11-17-10-7-13-24-17/h4-10,13,15,23H,11-12,14H2,1-3H3,(H3,20,21,22)
InChIKeyVLPQZSLFLYTVOX-UHFFFAOYSA-N
XLogP3.32
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[2-methyl-2-(1-phenylethylamino)propyl]-1-propylguanidine
CID 111803971
1-(2-methoxyethyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide
CID 111111871
1-(3-ethoxypropyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide
CID 111803912
2-[2-methyl-2-(1-phenylethylamino)propyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111803964
(2R,3R)-2-hydroxy-2-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 124608254
1-(4-methylphenyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine
CID 111803955
2-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111805144
2-[3-[benzyl(methyl)amino]butyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111600359
2-(3-phenylpropyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111024901
1-(3,4-dimethoxyphenyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine
CID 111803947
2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111023170
2-[2-ethyl-2-(1-phenylethylamino)butyl]-1-propylguanidine;hydroiodide
CID 111810371

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-(1-phenylethylamino)propyl]-1-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 2-[2-methyl-2-(1-phenylethylamino)propyl]-1-(2-thiophen-2-ylethyl)guanidine (CID 111803927) is 2-[2-methyl-2-(1-phenylethylamino)propyl]-1-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 2-[2-methyl-2-(1-phenylethylamino)propyl]-1-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 2-[2-methyl-2-(1-phenylethylamino)propyl]-1-(2-thiophen-2-ylethyl)guanidine is CC(NC(C)(C)C/N=C(\N)NCCc1cccs1)c1ccccc1.
What is the InChIKey of 2-[2-methyl-2-(1-phenylethylamino)propyl]-1-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is VLPQZSLFLYTVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4S/c1-15(16-8-5-4-6-9-16)23-19(2,3)14-22-18(20)21-12-11-17-10-7-13-24-17/h4-10,13,15,23H,11-12,14H2,1-3H3,(H3,20,21,22).
What are the key properties of 2-[2-methyl-2-(1-phenylethylamino)propyl]-1-(2-thiophen-2-ylethyl)guanidine?
2-[2-methyl-2-(1-phenylethylamino)propyl]-1-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 344.53 g/mol, XLogP of 3.32, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-(1-phenylethylamino)propyl]-1-(2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111803927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).