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

C15H23NO4 — CID 64929855

IUPACmethyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNCC2CCCCC2O)oc1C
InChIInChI=1S/C15H23NO4/c1-10-13(15(18)19-2)7-12(20-10)9-16-8-11-5-3-4-6-14(11)17/h7,11,14,16-17H,3-6,8-9H2,1-2H3
InChIKeyCAZKVGJEZSIGTK-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.02
Rot. Bonds5

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

methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 64929855) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]-2-methylfuran-3-carboxylate
PubChem CID64929855
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namemethyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNCC2CCCCC2O)oc1C
InChIInChI=1S/C15H23NO4/c1-10-13(15(18)19-2)7-12(20-10)9-16-8-11-5-3-4-6-14(11)17/h7,11,14,16-17H,3-6,8-9H2,1-2H3
InChIKeyCAZKVGJEZSIGTK-UHFFFAOYSA-N
XLogP2.02
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 2-methyl-5-[(oxolan-3-ylmethylamino)methyl]furan-3-carboxylate
CID 54932235
methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]furan-3-carboxylate
CID 104586370
methyl 2-methyl-5-[[(2-methylcyclopentyl)amino]methyl]furan-3-carboxylate
CID 63278183
methyl 2-fluoro-4-[[(2-hydroxycyclohexyl)methylamino]methyl]benzoate
CID 106700136
methyl 5-[(1-cyclobutylethylamino)methyl]-2-methylfuran-3-carboxylate
CID 115908711
methyl 5-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride
CID 119731037
methyl 5-[(1-cyclohexylpropylamino)methyl]-2-methylfuran-3-carboxylate
CID 62406987
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-[(1-cyclopropylethylamino)methyl]-2-methylfuran-3-carboxylate
CID 43231961
methyl 5-[[2-(azepan-1-yl)ethylamino]methyl]-2-methylfuran-3-carboxylate
CID 60752171
methyl 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-2-methylfuran-3-carboxylate
CID 115358697

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]-2-methylfuran-3-carboxylate (CID 64929855) is methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CNCC2CCCCC2O)oc1C.
What is the InChIKey of methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is CAZKVGJEZSIGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-10-13(15(18)19-2)7-12(20-10)9-16-8-11-5-3-4-6-14(11)17/h7,11,14,16-17H,3-6,8-9H2,1-2H3.
What are the key properties of methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 281.35 g/mol, XLogP of 2.02, 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]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 64929855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).