2-(3-phenylpropyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide

C16H22IN3S — CID 111024901

IUPAC2-(3-phenylpropyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCCc1ccccc1)NCCc1cccs1
InChIInChI=1S/C16H21N3S.HI/c17-16(19-12-10-15-9-5-13-20-15)18-11-4-8-14-6-2-1-3-7-14;/h1-3,5-7,9,13H,4,8,10-12H2,(H3,17,18,19);1H
InChIKeyQAZKGGSISRBAHC-UHFFFAOYSA-N
MW415.34 g/mol
LogP3.45
Rot. Bonds7

About 2-(3-phenylpropyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide

2-(3-phenylpropyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide (PubChem CID 111024901) has the molecular formula C16H22IN3S and a molecular weight of 415.34 g/mol. Its IUPAC name is 2-(3-phenylpropyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(3-phenylpropyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
PubChem CID111024901
Molecular FormulaC16H22IN3S
Molecular Weight415.34 g/mol
Exact Mass415.06
IUPAC Name2-(3-phenylpropyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCCc1ccccc1)NCCc1cccs1
InChIInChI=1S/C16H21N3S.HI/c17-16(19-12-10-15-9-5-13-20-15)18-11-4-8-14-6-2-1-3-7-14;/h1-3,5-7,9,13H,4,8,10-12H2,(H3,17,18,19);1H
InChIKeyQAZKGGSISRBAHC-UHFFFAOYSA-N
XLogP3.45
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111023170
2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111022609
2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090952
2-[3-[benzyl(methyl)amino]butyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111600359
2-[4-(4-nitrophenyl)butyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111805982
2-[7-(dimethylamino)heptyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111084900
2-[4-(diethylamino)butyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111059984
2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111812324
2-[3-(1H-indol-3-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111806432
2-[4-(4-phenylpiperazin-1-yl)butyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111061937
2-methyl-1-(3-phenylpropyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111199575
1-[2-(2-chlorophenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111044377

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-(3-phenylpropyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide (CID 111024901) is 2-(3-phenylpropyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(3-phenylpropyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-(3-phenylpropyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide is I.N/C(=N\CCCc1ccccc1)NCCc1cccs1.
What is the InChIKey of 2-(3-phenylpropyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The InChIKey is QAZKGGSISRBAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S.HI/c17-16(19-12-10-15-9-5-13-20-15)18-11-4-8-14-6-2-1-3-7-14;/h1-3,5-7,9,13H,4,8,10-12H2,(H3,17,18,19);1H.
What are the key properties of 2-(3-phenylpropyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
2-(3-phenylpropyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide has a molecular weight of 415.34 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111024901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).