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

C17H30N4O2S — CID 111607849

IUPAC1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
SMILESC/N=C(/NCC(c1cccs1)N1CCOCC1)NCC(C)(C)OC
InChIInChI=1S/C17H30N4O2S/c1-17(2,22-4)13-20-16(18-3)19-12-14(15-6-5-11-24-15)21-7-9-23-10-8-21/h5-6,11,14H,7-10,12-13H2,1-4H3,(H2,18,19,20)
InChIKeyNWMNNQXPYLYTNZ-UHFFFAOYSA-N
MW354.52 g/mol
LogP1.71
Rot. Bonds7

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

1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine (PubChem CID 111607849) has the molecular formula C17H30N4O2S and a molecular weight of 354.52 g/mol. Its IUPAC name is 1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
PubChem CID111607849
Molecular FormulaC17H30N4O2S
Molecular Weight354.52 g/mol
Exact Mass354.21
IUPAC Name1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
SMILESC/N=C(/NCC(c1cccs1)N1CCOCC1)NCC(C)(C)OC
InChIInChI=1S/C17H30N4O2S/c1-17(2,22-4)13-20-16(18-3)19-12-14(15-6-5-11-24-15)21-7-9-23-10-8-21/h5-6,11,14H,7-10,12-13H2,1-4H3,(H2,18,19,20)
InChIKeyNWMNNQXPYLYTNZ-UHFFFAOYSA-N
XLogP1.71
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111284655
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
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111606959
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111795328
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111606958
1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide
CID 111607358
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 111778587
1-benzyl-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 110953884
1-(2-butoxyethyl)-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111284104
1-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111283795
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111284588

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine (CID 111607849) is 1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine is C/N=C(/NCC(c1cccs1)N1CCOCC1)NCC(C)(C)OC.
What is the InChIKey of 1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine?
The InChIKey is NWMNNQXPYLYTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2S/c1-17(2,22-4)13-20-16(18-3)19-12-14(15-6-5-11-24-15)21-7-9-23-10-8-21/h5-6,11,14H,7-10,12-13H2,1-4H3,(H2,18,19,20).
What are the key properties of 1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine?
1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine has a molecular weight of 354.52 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111607849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).