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

C18H23N3S — CID 111816848

IUPAC1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-2-ylpropyl)guanidine
SMILESCC(C/N=C(\N)Nc1cccc2c1CCCC2)c1cccs1
InChIInChI=1S/C18H23N3S/c1-13(17-10-5-11-22-17)12-20-18(19)21-16-9-4-7-14-6-2-3-8-15(14)16/h4-5,7,9-11,13H,2-3,6,8,12H2,1H3,(H3,19,20,21)
InChIKeyOPHQLJBNABIHRX-UHFFFAOYSA-N
MW313.47 g/mol
LogP4.16
Rot. Bonds4

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

1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-2-ylpropyl)guanidine (PubChem CID 111816848) has the molecular formula C18H23N3S and a molecular weight of 313.47 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-2-ylpropyl)guanidine.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-2-ylpropyl)guanidine
PubChem CID111816848
Molecular FormulaC18H23N3S
Molecular Weight313.47 g/mol
Exact Mass313.16
IUPAC Name1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-2-ylpropyl)guanidine
SMILESCC(C/N=C(\N)Nc1cccc2c1CCCC2)c1cccs1
InChIInChI=1S/C18H23N3S/c1-13(17-10-5-11-22-17)12-20-18(19)21-16-9-4-7-14-6-2-3-8-15(14)16/h4-5,7,9-11,13H,2-3,6,8,12H2,1H3,(H3,19,20,21)
InChIKeyOPHQLJBNABIHRX-UHFFFAOYSA-N
XLogP4.16
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.16
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

1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-[2-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 110032765
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111758198
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
2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720591
2-(4-methyl-2-morpholin-4-ylpentyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720871
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(1,3-thiazol-2-ylmethyl)guanidine
CID 119142337
2-[2-(2-hydroxyethyl)pentyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111822697
1-(3-methylphenyl)-2-(2-thiophen-2-ylpropyl)guanidine
CID 111816840
2-[(2,6-dimethyl-4-pyridinyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 122101566
2-[(1-methylsulfonylcyclopropyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 120662779
2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-(2,2-difluoroethyl)acetamide
CID 120663334

Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-2-ylpropyl)guanidine?
The IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-2-ylpropyl)guanidine (CID 111816848) is 1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-2-ylpropyl)guanidine.
What is the SMILES notation for 1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-2-ylpropyl)guanidine?
The canonical SMILES for 1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-2-ylpropyl)guanidine is CC(C/N=C(\N)Nc1cccc2c1CCCC2)c1cccs1.
What is the InChIKey of 1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-2-ylpropyl)guanidine?
The InChIKey is OPHQLJBNABIHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3S/c1-13(17-10-5-11-22-17)12-20-18(19)21-16-9-4-7-14-6-2-3-8-15(14)16/h4-5,7,9-11,13H,2-3,6,8,12H2,1H3,(H3,19,20,21).
What are the key properties of 1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-2-ylpropyl)guanidine?
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-2-ylpropyl)guanidine has a molecular weight of 313.47 g/mol, XLogP of 4.16, 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-2-ylpropyl)guanidine is sourced from PubChem (CID 111816848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).