methyl 5-[2-(ethylaminomethyl)-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate

C15H23NO3 — CID 79338620

IUPACmethyl 5-[2-(ethylaminomethyl)-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate
SMILESCCNCC(=Cc1cc(C(=O)OC)c(C)o1)C(C)C
InChIInChI=1S/C15H23NO3/c1-6-16-9-12(10(2)3)7-13-8-14(11(4)19-13)15(17)18-5/h7-8,10,16H,6,9H2,1-5H3
InChIKeyVHDBVVQEMHTIAM-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.02
Rot. Bonds6

About methyl 5-[2-(ethylaminomethyl)-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate

methyl 5-[2-(ethylaminomethyl)-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate (PubChem CID 79338620) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 5-[2-(ethylaminomethyl)-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-(ethylaminomethyl)-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate
PubChem CID79338620
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 5-[2-(ethylaminomethyl)-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate
SMILESCCNCC(=Cc1cc(C(=O)OC)c(C)o1)C(C)C
InChIInChI=1S/C15H23NO3/c1-6-16-9-12(10(2)3)7-13-8-14(11(4)19-13)15(17)18-5/h7-8,10,16H,6,9H2,1-5H3
InChIKeyVHDBVVQEMHTIAM-UHFFFAOYSA-N
XLogP3.02
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[2-(chloromethyl)-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate
CID 79334939
methyl 5-[2-[(cyclopropylamino)methyl]-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate
CID 79339106
methyl 5-[(E)-3-hydroxybut-1-enyl]-2-methylfuran-3-carboxylate
CID 103971136
methyl 5-[2-[(cyclopropylamino)methyl]but-1-enyl]-2-methylfuran-3-carboxylate
CID 79328887
3-(4-methoxycarbonyl-5-methylfuran-2-yl)prop-2-enoic acid
CID 53405830
methyl 5-(5-ethoxy-5-oxopenta-1,3-dienyl)-2-methylfuran-3-carboxylate
CID 114193753
methyl 5-[3-(tert-butylamino)prop-1-enyl]-2-methylfuran-3-carboxylate
CID 79348071
methyl 5-[(E)-3-(tert-butylamino)-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate
CID 17398738
N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine
CID 79339792
methyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate
CID 64569272
methyl 5-(2-aminobutyl)-2-methylfuran-3-carboxylate
CID 170888841
4-methoxycarbonyl-5-methylfuran-2-carboxylic acid
CID 55212082

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(ethylaminomethyl)-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[2-(ethylaminomethyl)-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate (CID 79338620) is methyl 5-[2-(ethylaminomethyl)-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[2-(ethylaminomethyl)-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[2-(ethylaminomethyl)-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate is CCNCC(=Cc1cc(C(=O)OC)c(C)o1)C(C)C.
What is the InChIKey of methyl 5-[2-(ethylaminomethyl)-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate?
The InChIKey is VHDBVVQEMHTIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-6-16-9-12(10(2)3)7-13-8-14(11(4)19-13)15(17)18-5/h7-8,10,16H,6,9H2,1-5H3.
What are the key properties of methyl 5-[2-(ethylaminomethyl)-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate?
methyl 5-[2-(ethylaminomethyl)-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(ethylaminomethyl)-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 79338620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).