methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]furan-3-carboxylate

C14H21NO4 — CID 104586370

IUPACmethyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNCC2CCCCC2O)c1
InChIInChI=1S/C14H21NO4/c1-18-14(17)11-6-12(19-9-11)8-15-7-10-4-2-3-5-13(10)16/h6,9-10,13,15-16H,2-5,7-8H2,1H3
InChIKeyNMRCKRLRURRSGC-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.71
Rot. Bonds5

About methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]furan-3-carboxylate

methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]furan-3-carboxylate (PubChem CID 104586370) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]furan-3-carboxylate
PubChem CID104586370
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNCC2CCCCC2O)c1
InChIInChI=1S/C14H21NO4/c1-18-14(17)11-6-12(19-9-11)8-15-7-10-4-2-3-5-13(10)16/h6,9-10,13,15-16H,2-5,7-8H2,1H3
InChIKeyNMRCKRLRURRSGC-UHFFFAOYSA-N
XLogP1.71
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]-2-methylfuran-3-carboxylate
CID 64929855
methyl 5-[(2-cyclopropylethylamino)methyl]furan-3-carboxylate
CID 104586453
methyl 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylate
CID 104585751
methyl 5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-3-carboxylate
CID 104585942
methyl 5-[(3-cyclohexyloxypropylamino)methyl]furan-3-carboxylate
CID 104585865
methyl 5-[[(1-methylcyclobutyl)methylamino]methyl]furan-3-carboxylate
CID 104586478
methyl 5-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylate
CID 104586101
methyl 5-[[2-(3-methylcyclohexyl)ethylamino]methyl]furan-3-carboxylate
CID 104586293
methyl 5-[[(1-ethylcyclopentyl)methylamino]methyl]furan-3-carboxylate
CID 104586495
methyl 5-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]furan-3-carboxylate
CID 104585915
methyl 5-[(2-cyanoethylamino)methyl]furan-3-carboxylate
CID 104608135
methyl 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-3-carboxylate
CID 104585806

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]furan-3-carboxylate (CID 104586370) is methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]furan-3-carboxylate is COC(=O)c1coc(CNCC2CCCCC2O)c1.
What is the InChIKey of methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]furan-3-carboxylate?
The InChIKey is NMRCKRLRURRSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-18-14(17)11-6-12(19-9-11)8-15-7-10-4-2-3-5-13(10)16/h6,9-10,13,15-16H,2-5,7-8H2,1H3.
What are the key properties of methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]furan-3-carboxylate?
methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]furan-3-carboxylate has a molecular weight of 267.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]furan-3-carboxylate is sourced from PubChem (CID 104586370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).