1-(3-propan-2-ylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide

C17H24IN3S — CID 111758196

IUPAC1-(3-propan-2-ylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
SMILESCC(C)c1cccc(N/C(N)=N/CC(C)c2ccsc2)c1.I
InChIInChI=1S/C17H23N3S.HI/c1-12(2)14-5-4-6-16(9-14)20-17(18)19-10-13(3)15-7-8-21-11-15;/h4-9,11-13H,10H2,1-3H3,(H3,18,19,20);1H
InChIKeyDPEHDJGEMHHLFO-UHFFFAOYSA-N
MW429.37 g/mol
LogP5.02
Rot. Bonds5

About 1-(3-propan-2-ylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide

1-(3-propan-2-ylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide (PubChem CID 111758196) has the molecular formula C17H24IN3S and a molecular weight of 429.37 g/mol. Its IUPAC name is 1-(3-propan-2-ylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-propan-2-ylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
PubChem CID111758196
Molecular FormulaC17H24IN3S
Molecular Weight429.37 g/mol
Exact Mass429.07
IUPAC Name1-(3-propan-2-ylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
SMILESCC(C)c1cccc(N/C(N)=N/CC(C)c2ccsc2)c1.I
InChIInChI=1S/C17H23N3S.HI/c1-12(2)14-5-4-6-16(9-14)20-17(18)19-10-13(3)15-7-8-21-11-15;/h4-9,11-13H,10H2,1-3H3,(H3,18,19,20);1H
InChIKeyDPEHDJGEMHHLFO-UHFFFAOYSA-N
XLogP5.02
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.37
LogP ≤ 55.02
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine
CID 111758177
1-phenyl-2-(2-thiophen-3-ylpropyl)guanidine
CID 111498176
1-(4-methylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111758160
2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-1-(3-propan-2-ylphenyl)guanidine
CID 110032566
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-thiophen-3-ylpropyl)guanidine
CID 111758157
2-(3-hydroxy-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111799934
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111758198
2-(2-methoxy-2-phenylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111043614
2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111803089
2-[(4-methylphenyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111025993
2-[2-(2-methoxyethoxy)ethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111069303
2-(3-methylsulfonylpropyl)-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111067197

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-(3-propan-2-ylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide (CID 111758196) is 1-(3-propan-2-ylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(3-propan-2-ylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-(3-propan-2-ylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide is CC(C)c1cccc(N/C(N)=N/CC(C)c2ccsc2)c1.I.
What is the InChIKey of 1-(3-propan-2-ylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide?
The InChIKey is DPEHDJGEMHHLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S.HI/c1-12(2)14-5-4-6-16(9-14)20-17(18)19-10-13(3)15-7-8-21-11-15;/h4-9,11-13H,10H2,1-3H3,(H3,18,19,20);1H.
What are the key properties of 1-(3-propan-2-ylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide?
1-(3-propan-2-ylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide has a molecular weight of 429.37 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111758196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).