1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine

C8H12BrN3O — CID 130941718

IUPAC1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCc1ccc(Br)o1
InChIInChI=1S/C8H12BrN3O/c1-10-8(11-2)12-5-6-3-4-7(9)13-6/h3-4H,5H2,1-2H3,(H2,10,11,12)
InChIKeyIUFVHVUZDZHVCS-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.34
Rot. Bonds2

About 1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine

1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine (PubChem CID 130941718) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine
PubChem CID130941718
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCc1ccc(Br)o1
InChIInChI=1S/C8H12BrN3O/c1-10-8(11-2)12-5-6-3-4-7(9)13-6/h3-4H,5H2,1-2H3,(H2,10,11,12)
InChIKeyIUFVHVUZDZHVCS-UHFFFAOYSA-N
XLogP1.34
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.34
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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Related Compounds

1-(5-bromofuran-2-yl)-N-methylmethanamine
CID 16787243
2-[(5-bromofuran-2-yl)methylamino]-2-oxoacetic acid
CID 131209047
1,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
CID 130969421
1-benzyl-3-[(5-bromofuran-2-yl)methyl]urea
CID 131219763
3-[(5-bromofuran-2-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 106186158
2-[(5-bromofuran-2-yl)methylamino]propan-1-ol
CID 43499711
1-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109471175
1-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dimethylguanidine
CID 110930286
1-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dimethylguanidine;hydroiodide
CID 110930285
1,2-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 110913448
1,2-dimethyl-3-(naphthalen-1-ylmethyl)guanidine
CID 3028482
2-[4-[(5-bromofuran-2-yl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 54866454

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine (CID 130941718) is 1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine is C/N=C(\NC)NCc1ccc(Br)o1.
What is the InChIKey of 1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine?
The InChIKey is IUFVHVUZDZHVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-10-8(11-2)12-5-6-3-4-7(9)13-6/h3-4H,5H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine?
1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine has a molecular weight of 246.11 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-2-yl)methyl]-2,3-dimethylguanidine is sourced from PubChem (CID 130941718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).