2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine

C22H32N4OS — CID 111284655

IUPAC2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
SMILESC/N=C(\NCC(c1cccs1)N1CCOCC1)NCC(C)(C)c1ccccc1
InChIInChI=1S/C22H32N4OS/c1-22(2,18-8-5-4-6-9-18)17-25-21(23-3)24-16-19(20-10-7-15-28-20)26-11-13-27-14-12-26/h4-10,15,19H,11-14,16-17H2,1-3H3,(H2,23,24,25)
InChIKeyKTGLABUNBNECBS-UHFFFAOYSA-N
MW400.59 g/mol
LogP3.26
Rot. Bonds7

About 2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine

2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine (PubChem CID 111284655) has the molecular formula C22H32N4OS and a molecular weight of 400.59 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
PubChem CID111284655
Molecular FormulaC22H32N4OS
Molecular Weight400.59 g/mol
Exact Mass400.23
IUPAC Name2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
SMILESC/N=C(\NCC(c1cccs1)N1CCOCC1)NCC(C)(C)c1ccccc1
InChIInChI=1S/C22H32N4OS/c1-22(2,18-8-5-4-6-9-18)17-25-21(23-3)24-16-19(20-10-7-15-28-20)26-11-13-27-14-12-26/h4-10,15,19H,11-14,16-17H2,1-3H3,(H2,23,24,25)
InChIKeyKTGLABUNBNECBS-UHFFFAOYSA-N
XLogP3.26
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 53.26
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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Launch Full Analysis

Related Compounds

1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111607849
1-benzyl-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 110953884
1-tert-butyl-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 110966180
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
CID 111012343
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111795328
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 111778587
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 111284215
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 109417477
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111284588
1-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111283795
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[(2-phenyloxan-3-yl)methyl]guanidine
CID 111284297
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-phenylcyclopropyl)guanidine
CID 111284929

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine (CID 111284655) is 2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine is C/N=C(\NCC(c1cccs1)N1CCOCC1)NCC(C)(C)c1ccccc1.
What is the InChIKey of 2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine?
The InChIKey is KTGLABUNBNECBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4OS/c1-22(2,18-8-5-4-6-9-18)17-25-21(23-3)24-16-19(20-10-7-15-28-20)26-11-13-27-14-12-26/h4-10,15,19H,11-14,16-17H2,1-3H3,(H2,23,24,25).
What are the key properties of 2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine?
2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine has a molecular weight of 400.59 g/mol, XLogP of 3.26, 7 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-2-phenylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111284655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).