1-(2,5-dimethylfuran-3-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine

C13H19N3O — CID 61317086

IUPAC1-(2,5-dimethylfuran-3-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
SMILESCCn1ccnc1C(NC)c1cc(C)oc1C
InChIInChI=1S/C13H19N3O/c1-5-16-7-6-15-13(16)12(14-4)11-8-9(2)17-10(11)3/h6-8,12,14H,5H2,1-4H3
InChIKeyIRLYEXIJFDQODF-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.42
Rot. Bonds4

About 1-(2,5-dimethylfuran-3-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine

1-(2,5-dimethylfuran-3-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine (PubChem CID 61317086) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
PubChem CID61317086
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(2,5-dimethylfuran-3-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
SMILESCCn1ccnc1C(NC)c1cc(C)oc1C
InChIInChI=1S/C13H19N3O/c1-5-16-7-6-15-13(16)12(14-4)11-8-9(2)17-10(11)3/h6-8,12,14H,5H2,1-4H3
InChIKeyIRLYEXIJFDQODF-UHFFFAOYSA-N
XLogP2.42
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2,5-dimethylfuran-3-yl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105308447
1-(2,4-dibromophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
CID 107945885
1-(1-ethylimidazol-2-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105149774
N-methyl-1-(1-propylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65152000
1-(1-ethylimidazol-2-yl)-N-methyl-1-quinolin-8-ylmethanamine
CID 62875579
1-(4-chlorophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
CID 61316350
1-(1-ethylimidazol-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine
CID 63022367
1-(1-ethylimidazol-2-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82903281
3-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine
CID 63199792
1-(1-ethylimidazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 65195336
1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 63967915
1-(2-methoxy-4-methylphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 106791871

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine (CID 61317086) is 1-(2,5-dimethylfuran-3-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine is CCn1ccnc1C(NC)c1cc(C)oc1C.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine?
The InChIKey is IRLYEXIJFDQODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-5-16-7-6-15-13(16)12(14-4)11-8-9(2)17-10(11)3/h6-8,12,14H,5H2,1-4H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine?
1-(2,5-dimethylfuran-3-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine has a molecular weight of 233.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 61317086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).