2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)guanidine;hydroiodide

C15H27IN4OS — CID 111837176

IUPAC2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(\NCc1cccs1)NCC(C)CN1CCOCC1.I
InChIInChI=1S/C15H26N4OS.HI/c1-13(12-19-5-7-20-8-6-19)10-17-15(16-2)18-11-14-4-3-9-21-14;/h3-4,9,13H,5-8,10-12H2,1-2H3,(H2,16,17,18);1H
InChIKeyVHHIPNHTRVIXJY-UHFFFAOYSA-N
MW438.38 g/mol
LogP2.00
Rot. Bonds6

About 2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)guanidine;hydroiodide

2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)guanidine;hydroiodide (PubChem CID 111837176) has the molecular formula C15H27IN4OS and a molecular weight of 438.38 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
PubChem CID111837176
Molecular FormulaC15H27IN4OS
Molecular Weight438.38 g/mol
Exact Mass438.10
IUPAC Name2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(\NCc1cccs1)NCC(C)CN1CCOCC1.I
InChIInChI=1S/C15H26N4OS.HI/c1-13(12-19-5-7-20-8-6-19)10-17-15(16-2)18-11-14-4-3-9-21-14;/h3-4,9,13H,5-8,10-12H2,1-2H3,(H2,16,17,18);1H
InChIKeyVHHIPNHTRVIXJY-UHFFFAOYSA-N
XLogP2.00
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.38
LogP ≤ 52.00
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-methyl-1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111259950
2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111834334
2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111673923
2-methyl-1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111284726
2-methyl-1-(2-morpholin-4-yl-2-phenylethyl)-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111260094
2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111375481
2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-methylpropyl)guanidine
CID 111835613
2-methyl-1-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111258202
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 109410792
2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111837181
1-(1-morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea
CID 47218856
2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111839390

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)guanidine;hydroiodide (CID 111837176) is 2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)guanidine;hydroiodide is C/N=C(\NCc1cccs1)NCC(C)CN1CCOCC1.I.
What is the InChIKey of 2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is VHHIPNHTRVIXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS.HI/c1-13(12-19-5-7-20-8-6-19)10-17-15(16-2)18-11-14-4-3-9-21-14;/h3-4,9,13H,5-8,10-12H2,1-2H3,(H2,16,17,18);1H.
What are the key properties of 2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)guanidine;hydroiodide?
2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 438.38 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111837176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).