5-[(1-cyclohexylethylamino)methyl]-2-methylfuran-3-carboxylic acid

C15H23NO3 — CID 103249941

IUPAC5-[(1-cyclohexylethylamino)methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(C)C2CCCCC2)cc1C(=O)O
InChIInChI=1S/C15H23NO3/c1-10(12-6-4-3-5-7-12)16-9-13-8-14(15(17)18)11(2)19-13/h8,10,12,16H,3-7,9H2,1-2H3,(H,17,18)
InChIKeyBOINEYUJNNVOIT-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.34
Rot. Bonds5

About 5-[(1-cyclohexylethylamino)methyl]-2-methylfuran-3-carboxylic acid

5-[(1-cyclohexylethylamino)methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 103249941) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-[(1-cyclohexylethylamino)methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1-cyclohexylethylamino)methyl]-2-methylfuran-3-carboxylic acid
PubChem CID103249941
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name5-[(1-cyclohexylethylamino)methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(C)C2CCCCC2)cc1C(=O)O
InChIInChI=1S/C15H23NO3/c1-10(12-6-4-3-5-7-12)16-9-13-8-14(15(17)18)11(2)19-13/h8,10,12,16H,3-7,9H2,1-2H3,(H,17,18)
InChIKeyBOINEYUJNNVOIT-UHFFFAOYSA-N
XLogP3.34
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-[(1-cyclobutylethylamino)methyl]-2-methylfuran-3-carboxylate
CID 115908711
5-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3-methylfuran-2-carboxylic acid
CID 103259950
methyl 5-[(1-cyclopropylethylamino)methyl]-2-methylfuran-3-carboxylate
CID 43231961
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-5-methylfuran-2-carboxylic acid
CID 103260002
5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61199346
methyl 5-[(1-cyclohexylpropylamino)methyl]-2-methylfuran-3-carboxylate
CID 62406987
5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 54907246
5-[[2-[(2-cyclohexylacetyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226239
5-[(dicyclopropylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61480904
4-[[[(1R)-1-cyclohexylethyl]amino]methyl]-2-fluorobenzoic acid
CID 106700240
5-[(1-cyclobutylethylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 103268286
5-[[1-(4-chlorophenyl)ethylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 103244932

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclohexylethylamino)methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[(1-cyclohexylethylamino)methyl]-2-methylfuran-3-carboxylic acid (CID 103249941) is 5-[(1-cyclohexylethylamino)methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[(1-cyclohexylethylamino)methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[(1-cyclohexylethylamino)methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CNC(C)C2CCCCC2)cc1C(=O)O.
What is the InChIKey of 5-[(1-cyclohexylethylamino)methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is BOINEYUJNNVOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(12-6-4-3-5-7-12)16-9-13-8-14(15(17)18)11(2)19-13/h8,10,12,16H,3-7,9H2,1-2H3,(H,17,18).
What are the key properties of 5-[(1-cyclohexylethylamino)methyl]-2-methylfuran-3-carboxylic acid?
5-[(1-cyclohexylethylamino)methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclohexylethylamino)methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 103249941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).