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

C15H23NO3 — CID 103253350

IUPAC5-[[(3,4-dimethylcyclohexyl)amino]methyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(CNC2CCC(C)C(C)C2)oc1C(=O)O
InChIInChI=1S/C15H23NO3/c1-9-4-5-12(6-10(9)2)16-8-13-7-11(3)14(19-13)15(17)18/h7,9-10,12,16H,4-6,8H2,1-3H3,(H,17,18)
InChIKeyLKGDQNSGKXMMGJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.20
Rot. Bonds4

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

5-[[(3,4-dimethylcyclohexyl)amino]methyl]-3-methylfuran-2-carboxylic acid (PubChem CID 103253350) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-[[(3,4-dimethylcyclohexyl)amino]methyl]-3-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(3,4-dimethylcyclohexyl)amino]methyl]-3-methylfuran-2-carboxylic acid
PubChem CID103253350
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name5-[[(3,4-dimethylcyclohexyl)amino]methyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(CNC2CCC(C)C(C)C2)oc1C(=O)O
InChIInChI=1S/C15H23NO3/c1-9-4-5-12(6-10(9)2)16-8-13-7-11(3)14(19-13)15(17)18/h7,9-10,12,16H,4-6,8H2,1-3H3,(H,17,18)
InChIKeyLKGDQNSGKXMMGJ-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-[[(3,4-dimethylcyclohexyl)amino]methyl]-3-methylfuran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-5-[(oxetan-3-ylamino)methyl]furan-2-carboxylic acid
CID 103256862
3-methyl-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid
CID 106190640
3-methyl-5-[[(2-methylcyclohexyl)methylamino]methyl]furan-2-carboxylic acid
CID 103243474
5-[(hydroxyamino)methyl]-3-methylfuran-2-carboxylic acid
CID 103282683
5-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]-3-methylfuran-2-carboxylic acid
CID 114178848
5-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3-methylfuran-2-carboxylic acid
CID 103259950
5-(ethylaminomethyl)-3-methylfuran-2-carboxylic acid
CID 103230364
3-methyl-5-[[(2-oxopiperidin-3-yl)amino]methyl]furan-2-carboxylic acid
CID 103248585
5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid
CID 104967824
5-[(2-cyclopentylethylamino)methyl]-3-methylfuran-2-carboxylic acid
CID 103240042
2-[[(3,4-dimethylcyclohexyl)amino]methyl]benzoic acid
CID 103253362
3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 43621030

Frequently Asked Questions

What is the IUPAC name of 5-[[(3,4-dimethylcyclohexyl)amino]methyl]-3-methylfuran-2-carboxylic acid?
The IUPAC name of 5-[[(3,4-dimethylcyclohexyl)amino]methyl]-3-methylfuran-2-carboxylic acid (CID 103253350) is 5-[[(3,4-dimethylcyclohexyl)amino]methyl]-3-methylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[[(3,4-dimethylcyclohexyl)amino]methyl]-3-methylfuran-2-carboxylic acid?
The canonical SMILES for 5-[[(3,4-dimethylcyclohexyl)amino]methyl]-3-methylfuran-2-carboxylic acid is Cc1cc(CNC2CCC(C)C(C)C2)oc1C(=O)O.
What is the InChIKey of 5-[[(3,4-dimethylcyclohexyl)amino]methyl]-3-methylfuran-2-carboxylic acid?
The InChIKey is LKGDQNSGKXMMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9-4-5-12(6-10(9)2)16-8-13-7-11(3)14(19-13)15(17)18/h7,9-10,12,16H,4-6,8H2,1-3H3,(H,17,18).
What are the key properties of 5-[[(3,4-dimethylcyclohexyl)amino]methyl]-3-methylfuran-2-carboxylic acid?
5-[[(3,4-dimethylcyclohexyl)amino]methyl]-3-methylfuran-2-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-[[(3,4-dimethylcyclohexyl)amino]methyl]-3-methylfuran-2-carboxylic acid is sourced from PubChem (CID 103253350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).