2-(4-methyl-2-morpholin-4-ylpentyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide

C17H31IN4OS — CID 111041502

IUPAC2-(4-methyl-2-morpholin-4-ylpentyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
SMILESCC(C)CC(C/N=C(\N)NCCc1cccs1)N1CCOCC1.I
InChIInChI=1S/C17H30N4OS.HI/c1-14(2)12-15(21-7-9-22-10-8-21)13-20-17(18)19-6-5-16-4-3-11-23-16;/h3-4,11,14-15H,5-10,12-13H2,1-2H3,(H3,18,19,20);1H
InChIKeyXRHGBJBRIRALTE-UHFFFAOYSA-N
MW466.43 g/mol
LogP2.56
Rot. Bonds8

About 2-(4-methyl-2-morpholin-4-ylpentyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide

2-(4-methyl-2-morpholin-4-ylpentyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide (PubChem CID 111041502) has the molecular formula C17H31IN4OS and a molecular weight of 466.43 g/mol. Its IUPAC name is 2-(4-methyl-2-morpholin-4-ylpentyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(4-methyl-2-morpholin-4-ylpentyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
PubChem CID111041502
Molecular FormulaC17H31IN4OS
Molecular Weight466.43 g/mol
Exact Mass466.13
IUPAC Name2-(4-methyl-2-morpholin-4-ylpentyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
SMILESCC(C)CC(C/N=C(\N)NCCc1cccs1)N1CCOCC1.I
InChIInChI=1S/C17H30N4OS.HI/c1-14(2)12-15(21-7-9-22-10-8-21)13-20-17(18)19-6-5-16-4-3-11-23-16;/h3-4,11,14-15H,5-10,12-13H2,1-2H3,(H3,18,19,20);1H
InChIKeyXRHGBJBRIRALTE-UHFFFAOYSA-N
XLogP2.56
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111037591
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111350301
2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111054825
1-hexyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111041494
2-[2-(dimethylamino)-4-methylpentyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111041767
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111041553
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111085609
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111067338
2-(4-methyl-2-pyrrolidin-1-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111042263
2-[(2-methyltetrazol-5-yl)methyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 120603223
2-(4-methyl-2-morpholin-4-ylpentyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111041525
2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-thiophen-2-ylethyl)guanidine
CID 111348842

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-morpholin-4-ylpentyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-(4-methyl-2-morpholin-4-ylpentyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide (CID 111041502) is 2-(4-methyl-2-morpholin-4-ylpentyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(4-methyl-2-morpholin-4-ylpentyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-(4-methyl-2-morpholin-4-ylpentyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide is CC(C)CC(C/N=C(\N)NCCc1cccs1)N1CCOCC1.I.
What is the InChIKey of 2-(4-methyl-2-morpholin-4-ylpentyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The InChIKey is XRHGBJBRIRALTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4OS.HI/c1-14(2)12-15(21-7-9-22-10-8-21)13-20-17(18)19-6-5-16-4-3-11-23-16;/h3-4,11,14-15H,5-10,12-13H2,1-2H3,(H3,18,19,20);1H.
What are the key properties of 2-(4-methyl-2-morpholin-4-ylpentyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
2-(4-methyl-2-morpholin-4-ylpentyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide has a molecular weight of 466.43 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-morpholin-4-ylpentyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111041502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).