2-[(2,5-dimethylfuran-3-yl)methyl]guanidine

C8H13N3O — CID 58146131

IUPAC2-[(2,5-dimethylfuran-3-yl)methyl]guanidine
SMILESCc1cc(CN=C(N)N)c(C)o1
InChIInChI=1S/C8H13N3O/c1-5-3-7(6(2)12-5)4-11-8(9)10/h3H,4H2,1-2H3,(H4,9,10,11)
InChIKeyUUSLUUFXBZSWAK-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.67
Rot. Bonds2

About 2-[(2,5-dimethylfuran-3-yl)methyl]guanidine

2-[(2,5-dimethylfuran-3-yl)methyl]guanidine (PubChem CID 58146131) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-[(2,5-dimethylfuran-3-yl)methyl]guanidine.

Molecular Properties

Compound Name2-[(2,5-dimethylfuran-3-yl)methyl]guanidine
PubChem CID58146131
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-[(2,5-dimethylfuran-3-yl)methyl]guanidine
SMILESCc1cc(CN=C(N)N)c(C)o1
InChIInChI=1S/C8H13N3O/c1-5-3-7(6(2)12-5)4-11-8(9)10/h3H,4H2,1-2H3,(H4,9,10,11)
InChIKeyUUSLUUFXBZSWAK-UHFFFAOYSA-N
XLogP0.67
TPSA77.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylfuran-3-yl)methyl]guanidine?
The IUPAC name of 2-[(2,5-dimethylfuran-3-yl)methyl]guanidine (CID 58146131) is 2-[(2,5-dimethylfuran-3-yl)methyl]guanidine.
What is the SMILES notation for 2-[(2,5-dimethylfuran-3-yl)methyl]guanidine?
The canonical SMILES for 2-[(2,5-dimethylfuran-3-yl)methyl]guanidine is Cc1cc(CN=C(N)N)c(C)o1.
What is the InChIKey of 2-[(2,5-dimethylfuran-3-yl)methyl]guanidine?
The InChIKey is UUSLUUFXBZSWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5-3-7(6(2)12-5)4-11-8(9)10/h3H,4H2,1-2H3,(H4,9,10,11).
What are the key properties of 2-[(2,5-dimethylfuran-3-yl)methyl]guanidine?
2-[(2,5-dimethylfuran-3-yl)methyl]guanidine has a molecular weight of 167.21 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylfuran-3-yl)methyl]guanidine is sourced from PubChem (CID 58146131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).