methyl 5-[[3-(diethylamino)propylamino]methyl]-2-methylfuran-3-carboxylate

C15H26N2O3 — CID 43219152

IUPACmethyl 5-[[3-(diethylamino)propylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCCN(CC)CCCNCc1cc(C(=O)OC)c(C)o1
InChIInChI=1S/C15H26N2O3/c1-5-17(6-2)9-7-8-16-11-13-10-14(12(3)20-13)15(18)19-4/h10,16H,5-9,11H2,1-4H3
InChIKeyGIVAMAHXJYUVJI-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.20
Rot. Bonds9

About methyl 5-[[3-(diethylamino)propylamino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[3-(diethylamino)propylamino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 43219152) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl 5-[[3-(diethylamino)propylamino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[3-(diethylamino)propylamino]methyl]-2-methylfuran-3-carboxylate
PubChem CID43219152
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Namemethyl 5-[[3-(diethylamino)propylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCCN(CC)CCCNCc1cc(C(=O)OC)c(C)o1
InChIInChI=1S/C15H26N2O3/c1-5-17(6-2)9-7-8-16-11-13-10-14(12(3)20-13)15(18)19-4/h10,16H,5-9,11H2,1-4H3
InChIKeyGIVAMAHXJYUVJI-UHFFFAOYSA-N
XLogP2.20
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-methyl-5-[(pent-4-ynylamino)methyl]furan-3-carboxylate
CID 103923406
3-[(4-methoxycarbonyl-5-methylfuran-2-yl)methylamino]propanoic acid
CID 43774846
methyl 2-methyl-5-[[[(E)-pent-3-enyl]amino]methyl]furan-3-carboxylate
CID 115907444
methyl 5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 103923948
methyl 5-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methylfuran-3-carboxylate
CID 43219136
methyl 2-methyl-5-[(2-pyridin-4-ylethylamino)methyl]furan-3-carboxylate
CID 60902691
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
methyl 5-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 43231477
methyl 2-methyl-5-[(3-methylsulfinylbutylamino)methyl]furan-3-carboxylate
CID 115924392
methyl 5-[[2-(azepan-1-yl)ethylamino]methyl]-2-methylfuran-3-carboxylate
CID 60752171
methyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate
CID 64569272
methyl 5-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 103923336

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[3-(diethylamino)propylamino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[3-(diethylamino)propylamino]methyl]-2-methylfuran-3-carboxylate (CID 43219152) is methyl 5-[[3-(diethylamino)propylamino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[3-(diethylamino)propylamino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[3-(diethylamino)propylamino]methyl]-2-methylfuran-3-carboxylate is CCN(CC)CCCNCc1cc(C(=O)OC)c(C)o1.
What is the InChIKey of methyl 5-[[3-(diethylamino)propylamino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is GIVAMAHXJYUVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-17(6-2)9-7-8-16-11-13-10-14(12(3)20-13)15(18)19-4/h10,16H,5-9,11H2,1-4H3.
What are the key properties of methyl 5-[[3-(diethylamino)propylamino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[3-(diethylamino)propylamino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[3-(diethylamino)propylamino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 43219152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).