5-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methylfuran-3-carboxylic acid

C15H23NO3 — CID 103251961

IUPAC5-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC2CCC(C)CC2C)cc1C(=O)O
InChIInChI=1S/C15H23NO3/c1-9-4-5-14(10(2)6-9)16-8-12-7-13(15(17)18)11(3)19-12/h7,9-10,14,16H,4-6,8H2,1-3H3,(H,17,18)
InChIKeyKJUYFQZZVLMRKU-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.20
Rot. Bonds4

About 5-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methylfuran-3-carboxylic acid

5-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 103251961) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID103251961
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name5-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC2CCC(C)CC2C)cc1C(=O)O
InChIInChI=1S/C15H23NO3/c1-9-4-5-14(10(2)6-9)16-8-12-7-13(15(17)18)11(3)19-12/h7,9-10,14,16H,4-6,8H2,1-3H3,(H,17,18)
InChIKeyKJUYFQZZVLMRKU-UHFFFAOYSA-N
XLogP3.20
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methylfuran-3-carboxylic acid with MolForge

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Related Compounds

5-[(2-bicyclo[2.2.1]heptanylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 103254703
2-[[(2,4-dimethylcyclohexyl)amino]methyl]benzoic acid
CID 103251979
5-[[(2,4-dimethylcyclohexyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631212
methyl 2-methyl-5-[[(2-methylcyclopentyl)amino]methyl]furan-3-carboxylate
CID 63278183
2,4-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexan-1-amine
CID 64761102
2-methyl-5-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]furan-3-carboxylic acid
CID 103239396
2-methyl-5-[[(2-methylcyclohexyl)carbamoylamino]methyl]furan-3-carboxylic acid
CID 61191190
2-methyl-5-[[(4-methylazepane-1-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 63625298
5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 54907246
2-methyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]furan-3-carboxylic acid
CID 43477221
5-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 103240552
2-methyl-5-[(2-methylbutan-2-ylamino)methyl]furan-3-carboxylic acid
CID 103230898

Frequently Asked Questions

What is the IUPAC name of 5-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methylfuran-3-carboxylic acid (CID 103251961) is 5-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CNC2CCC(C)CC2C)cc1C(=O)O.
What is the InChIKey of 5-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is KJUYFQZZVLMRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9-4-5-14(10(2)6-9)16-8-12-7-13(15(17)18)11(3)19-12/h7,9-10,14,16H,4-6,8H2,1-3H3,(H,17,18).
What are the key properties of 5-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 103251961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).