methyl 5-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-2-methylfuran-3-carboxylate

C14H24N2O3 — CID 43231477

IUPACmethyl 5-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNCC(C)(C)N(C)C)oc1C
InChIInChI=1S/C14H24N2O3/c1-10-12(13(17)18-6)7-11(19-10)8-15-9-14(2,3)16(4)5/h7,15H,8-9H2,1-6H3
InChIKeySOVJWCRHAINWFK-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.80
Rot. Bonds6

About methyl 5-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 43231477) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl 5-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-2-methylfuran-3-carboxylate
PubChem CID43231477
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Namemethyl 5-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNCC(C)(C)N(C)C)oc1C
InChIInChI=1S/C14H24N2O3/c1-10-12(13(17)18-6)7-11(19-10)8-15-9-14(2,3)16(4)5/h7,15H,8-9H2,1-6H3
InChIKeySOVJWCRHAINWFK-UHFFFAOYSA-N
XLogP1.80
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

methyl 5-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 103923336
methyl 5-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 113472111
methyl 5-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 115278913
methyl 2-methyl-5-[(3-methylpentan-3-ylamino)methyl]furan-3-carboxylate
CID 113253716
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
3-[(4-methoxycarbonyl-5-methylfuran-2-yl)methylamino]propanoic acid
CID 43774846
methyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate
CID 64569272
methyl 5-[(3,5-dimethylanilino)methyl]-2-methylfuran-3-carboxylate
CID 43222394
methyl 5-[[3-(diethylamino)propylamino]methyl]-2-methylfuran-3-carboxylate
CID 43219152
methyl 2-methyl-5-[[[(E)-pent-3-enyl]amino]methyl]furan-3-carboxylate
CID 115907444
methyl 2-methyl-5-[(3-methylsulfinylbutylamino)methyl]furan-3-carboxylate
CID 115924392
5-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 106149182

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-2-methylfuran-3-carboxylate (CID 43231477) is methyl 5-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CNCC(C)(C)N(C)C)oc1C.
What is the InChIKey of methyl 5-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is SOVJWCRHAINWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10-12(13(17)18-6)7-11(19-10)8-15-9-14(2,3)16(4)5/h7,15H,8-9H2,1-6H3.
What are the key properties of methyl 5-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 43231477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).