1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide

C18H24IN3S — CID 111758198

IUPAC1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
SMILESCC(C/N=C(\N)Nc1cccc2c1CCCC2)c1ccsc1.I
InChIInChI=1S/C18H23N3S.HI/c1-13(15-9-10-22-12-15)11-20-18(19)21-17-8-4-6-14-5-2-3-7-16(14)17;/h4,6,8-10,12-13H,2-3,5,7,11H2,1H3,(H3,19,20,21);1H
InChIKeyUSBIFAWBLJMNLP-UHFFFAOYSA-N
MW441.38 g/mol
LogP4.78
Rot. Bonds4

About 1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide

1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide (PubChem CID 111758198) has the molecular formula C18H24IN3S and a molecular weight of 441.38 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
PubChem CID111758198
Molecular FormulaC18H24IN3S
Molecular Weight441.38 g/mol
Exact Mass441.07
IUPAC Name1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
SMILESCC(C/N=C(\N)Nc1cccc2c1CCCC2)c1ccsc1.I
InChIInChI=1S/C18H23N3S.HI/c1-13(15-9-10-22-12-15)11-20-18(19)21-17-8-4-6-14-5-2-3-7-16(14)17;/h4,6,8-10,12-13H,2-3,5,7,11H2,1H3,(H3,19,20,21);1H
InChIKeyUSBIFAWBLJMNLP-UHFFFAOYSA-N
XLogP4.78
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.38
LogP ≤ 54.78
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-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-2-ylpropyl)guanidine
CID 111816848
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-[2-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 110032765
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-thiophen-3-ylpropyl)guanidine
CID 111758157
2-[2-[cyclopropyl(methyl)amino]propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721686
2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721293
1-phenyl-2-(2-thiophen-3-ylpropyl)guanidine
CID 111498176
1-(3-propan-2-ylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111758196
2-[2-(2-hydroxyethyl)pentyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111822697
1-(4-methylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111758160
2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720591
1-(3-ethylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine
CID 111758177
2-[3-(2-methylpropoxy)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720784

Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide (CID 111758198) is 1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide is CC(C/N=C(\N)Nc1cccc2c1CCCC2)c1ccsc1.I.
What is the InChIKey of 1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide?
The InChIKey is USBIFAWBLJMNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3S.HI/c1-13(15-9-10-22-12-15)11-20-18(19)21-17-8-4-6-14-5-2-3-7-16(14)17;/h4,6,8-10,12-13H,2-3,5,7,11H2,1H3,(H3,19,20,21);1H.
What are the key properties of 1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide?
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide has a molecular weight of 441.38 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111758198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).