2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(thiophen-2-ylmethyl)guanidine

C15H26N4OS — CID 111837181

IUPAC2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(thiophen-2-ylmethyl)guanidine
SMILESC/N=C(\NCc1cccs1)NCC(C)N1CCOCC1C
InChIInChI=1S/C15H26N4OS/c1-12(19-6-7-20-11-13(19)2)9-17-15(16-3)18-10-14-5-4-8-21-14/h4-5,8,12-13H,6-7,9-11H2,1-3H3,(H2,16,17,18)
InChIKeyCRMCGPQRVOMLKH-UHFFFAOYSA-N
MW310.47 g/mol
LogP1.52
Rot. Bonds5

About 2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(thiophen-2-ylmethyl)guanidine

2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(thiophen-2-ylmethyl)guanidine (PubChem CID 111837181) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(thiophen-2-ylmethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(thiophen-2-ylmethyl)guanidine
PubChem CID111837181
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(thiophen-2-ylmethyl)guanidine
SMILESC/N=C(\NCc1cccs1)NCC(C)N1CCOCC1C
InChIInChI=1S/C15H26N4OS/c1-12(19-6-7-20-11-13(19)2)9-17-15(16-3)18-10-14-5-4-8-21-14/h4-5,8,12-13H,6-7,9-11H2,1-3H3,(H2,16,17,18)
InChIKeyCRMCGPQRVOMLKH-UHFFFAOYSA-N
XLogP1.52
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 51.52
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'}

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Related Compounds

2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111837618
2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111981211
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide
CID 111837034
2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111837176
2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(4-phenylbutan-2-yl)guanidine
CID 111835425
2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(2-methylsulfanylethyl)guanidine
CID 111838575
2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111835834
2-methyl-1-(2-morpholin-4-yl-2-phenylethyl)-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111260094
2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-pentylguanidine;hydroiodide
CID 111834776
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine
CID 111836239
2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111257937
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111258270

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(thiophen-2-ylmethyl)guanidine?
The IUPAC name of 2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(thiophen-2-ylmethyl)guanidine (CID 111837181) is 2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(thiophen-2-ylmethyl)guanidine.
What is the SMILES notation for 2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(thiophen-2-ylmethyl)guanidine?
The canonical SMILES for 2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(thiophen-2-ylmethyl)guanidine is C/N=C(\NCc1cccs1)NCC(C)N1CCOCC1C.
What is the InChIKey of 2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(thiophen-2-ylmethyl)guanidine?
The InChIKey is CRMCGPQRVOMLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-12(19-6-7-20-11-13(19)2)9-17-15(16-3)18-10-14-5-4-8-21-14/h4-5,8,12-13H,6-7,9-11H2,1-3H3,(H2,16,17,18).
What are the key properties of 2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(thiophen-2-ylmethyl)guanidine?
2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(thiophen-2-ylmethyl)guanidine has a molecular weight of 310.47 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(thiophen-2-ylmethyl)guanidine is sourced from PubChem (CID 111837181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).