methyl 5-[(6-methylheptan-2-ylamino)methyl]furan-3-carboxylate

C15H25NO3 — CID 104585846

IUPACmethyl 5-[(6-methylheptan-2-ylamino)methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNC(C)CCCC(C)C)c1
InChIInChI=1S/C15H25NO3/c1-11(2)6-5-7-12(3)16-9-14-8-13(10-19-14)15(17)18-4/h8,10-12,16H,5-7,9H2,1-4H3
InChIKeyDYWREXAYOIZVKC-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.37
Rot. Bonds8

About methyl 5-[(6-methylheptan-2-ylamino)methyl]furan-3-carboxylate

methyl 5-[(6-methylheptan-2-ylamino)methyl]furan-3-carboxylate (PubChem CID 104585846) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is methyl 5-[(6-methylheptan-2-ylamino)methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(6-methylheptan-2-ylamino)methyl]furan-3-carboxylate
PubChem CID104585846
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Namemethyl 5-[(6-methylheptan-2-ylamino)methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNC(C)CCCC(C)C)c1
InChIInChI=1S/C15H25NO3/c1-11(2)6-5-7-12(3)16-9-14-8-13(10-19-14)15(17)18-4/h8,10-12,16H,5-7,9H2,1-4H3
InChIKeyDYWREXAYOIZVKC-UHFFFAOYSA-N
XLogP3.37
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[(4-methylsulfinylbutan-2-ylamino)methyl]furan-3-carboxylate
CID 104586512
methyl 5-[[(1-amino-1-oxopropan-2-yl)amino]methyl]furan-3-carboxylate
CID 104586651
methyl 5-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]furan-3-carboxylate
CID 104586361
methyl 5-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]furan-3-carboxylate
CID 115616209
methyl 5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]furan-3-carboxylate
CID 104586048
methyl 5-ethylfuran-3-carboxylate
CID 23661323
methyl 5-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]furan-3-carboxylate
CID 114987217
methyl 5-[[(2-hydroxy-4-methylpentyl)amino]methyl]furan-3-carboxylate
CID 104586138
methyl 5-[(1-methylsulfanylbutan-2-ylamino)methyl]furan-3-carboxylate
CID 104586610
methyl 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylate
CID 104609167
methyl 5-(chloromethyl)furan-3-carboxylate
CID 47002840
methyl 5-[(2,3,5,6-tetrafluoroanilino)methyl]furan-3-carboxylate
CID 107644134

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(6-methylheptan-2-ylamino)methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[(6-methylheptan-2-ylamino)methyl]furan-3-carboxylate (CID 104585846) is methyl 5-[(6-methylheptan-2-ylamino)methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[(6-methylheptan-2-ylamino)methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[(6-methylheptan-2-ylamino)methyl]furan-3-carboxylate is COC(=O)c1coc(CNC(C)CCCC(C)C)c1.
What is the InChIKey of methyl 5-[(6-methylheptan-2-ylamino)methyl]furan-3-carboxylate?
The InChIKey is DYWREXAYOIZVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11(2)6-5-7-12(3)16-9-14-8-13(10-19-14)15(17)18-4/h8,10-12,16H,5-7,9H2,1-4H3.
What are the key properties of methyl 5-[(6-methylheptan-2-ylamino)methyl]furan-3-carboxylate?
methyl 5-[(6-methylheptan-2-ylamino)methyl]furan-3-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(6-methylheptan-2-ylamino)methyl]furan-3-carboxylate is sourced from PubChem (CID 104585846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).