1-tert-butyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine

C16H28N4O2 — CID 111037574

IUPAC1-tert-butyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
SMILESCc1ccc(C(C/N=C(\N)NC(C)(C)C)N2CCOCC2)o1
InChIInChI=1S/C16H28N4O2/c1-12-5-6-14(22-12)13(20-7-9-21-10-8-20)11-18-15(17)19-16(2,3)4/h5-6,13H,7-11H2,1-4H3,(H3,17,18,19)
InChIKeyJJWSBIABYYCYGY-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.66
Rot. Bonds4

About 1-tert-butyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine

1-tert-butyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine (PubChem CID 111037574) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-tert-butyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
PubChem CID111037574
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name1-tert-butyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
SMILESCc1ccc(C(C/N=C(\N)NC(C)(C)C)N2CCOCC2)o1
InChIInChI=1S/C16H28N4O2/c1-12-5-6-14(22-12)13(20-7-9-21-10-8-20)11-18-15(17)19-16(2,3)4/h5-6,13H,7-11H2,1-4H3,(H3,17,18,19)
InChIKeyJJWSBIABYYCYGY-UHFFFAOYSA-N
XLogP1.66
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.66
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-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111037591
1-(3-methoxyphenyl)-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111037549
1-tert-butyl-2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111054726
ethyl 4-[[N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111037608
1-(4-methoxyphenyl)-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
CID 111096010
N-tert-butyl-2-[[N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111385675
1-tert-butyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111029760
1-(2-methoxyphenyl)-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111096007
N-ethyl-4-methyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide;hydroiodide
CID 111210800
1-cyclohexyl-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 110959034
2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111096065
1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111261490

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine?
The IUPAC name of 1-tert-butyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine (CID 111037574) is 1-tert-butyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine.
What is the SMILES notation for 1-tert-butyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine?
The canonical SMILES for 1-tert-butyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine is Cc1ccc(C(C/N=C(\N)NC(C)(C)C)N2CCOCC2)o1.
What is the InChIKey of 1-tert-butyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine?
The InChIKey is JJWSBIABYYCYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-12-5-6-14(22-12)13(20-7-9-21-10-8-20)11-18-15(17)19-16(2,3)4/h5-6,13H,7-11H2,1-4H3,(H3,17,18,19).
What are the key properties of 1-tert-butyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine?
1-tert-butyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine has a molecular weight of 308.43 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine is sourced from PubChem (CID 111037574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).