5-[[(2-propan-2-ylcyclohexyl)amino]methyl]furan-3-carboxylic acid

C15H23NO3 — CID 104609241

IUPAC5-[[(2-propan-2-ylcyclohexyl)amino]methyl]furan-3-carboxylic acid
SMILESCC(C)C1CCCCC1NCc1cc(C(=O)O)co1
InChIInChI=1S/C15H23NO3/c1-10(2)13-5-3-4-6-14(13)16-8-12-7-11(9-19-12)15(17)18/h7,9-10,13-14,16H,3-6,8H2,1-2H3,(H,17,18)
InChIKeyPZWKQYBJJCHDOT-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.28
Rot. Bonds5

About 5-[[(2-propan-2-ylcyclohexyl)amino]methyl]furan-3-carboxylic acid

5-[[(2-propan-2-ylcyclohexyl)amino]methyl]furan-3-carboxylic acid (PubChem CID 104609241) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-[[(2-propan-2-ylcyclohexyl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-propan-2-ylcyclohexyl)amino]methyl]furan-3-carboxylic acid
PubChem CID104609241
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name5-[[(2-propan-2-ylcyclohexyl)amino]methyl]furan-3-carboxylic acid
SMILESCC(C)C1CCCCC1NCc1cc(C(=O)O)co1
InChIInChI=1S/C15H23NO3/c1-10(2)13-5-3-4-6-14(13)16-8-12-7-11(9-19-12)15(17)18/h7,9-10,13-14,16H,3-6,8H2,1-2H3,(H,17,18)
InChIKeyPZWKQYBJJCHDOT-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[[(2-propan-2-ylcyclohexyl)amino]methyl]furan-3-carboxylic acid with MolForge

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Related Compounds

5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]furan-3-carboxylic acid
CID 104608366
5-[[(3-methylcyclohexyl)amino]methyl]furan-3-carboxylic acid
CID 113432450
5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-3-carboxylic acid
CID 104608471
5-methyl-4-[[(2-propan-2-ylcyclohexyl)amino]methyl]furan-2-carboxylic acid
CID 103261996
5-[[(1,1-dioxothian-4-yl)amino]methyl]furan-3-carboxylic acid
CID 104608237
5-[[(2-propan-2-ylcyclohexyl)amino]methyl]thiophene-3-carboxamide
CID 81462623
5-[(3,3-dimethylbutan-2-ylamino)methyl]furan-3-carboxylic acid
CID 104827778
5-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]furan-3-carboxylic acid
CID 113432528
5-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]furan-3-carboxylic acid
CID 104608993
5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]furan-3-carboxylic acid
CID 104608599
5-(2-methylpropyl)furan-3-carboxylic acid
CID 127020960
5-[[cyclopentyl(methyl)amino]methyl]furan-3-carboxylic acid
CID 62267288

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-propan-2-ylcyclohexyl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[(2-propan-2-ylcyclohexyl)amino]methyl]furan-3-carboxylic acid (CID 104609241) is 5-[[(2-propan-2-ylcyclohexyl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[(2-propan-2-ylcyclohexyl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[(2-propan-2-ylcyclohexyl)amino]methyl]furan-3-carboxylic acid is CC(C)C1CCCCC1NCc1cc(C(=O)O)co1.
What is the InChIKey of 5-[[(2-propan-2-ylcyclohexyl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is PZWKQYBJJCHDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(2)13-5-3-4-6-14(13)16-8-12-7-11(9-19-12)15(17)18/h7,9-10,13-14,16H,3-6,8H2,1-2H3,(H,17,18).
What are the key properties of 5-[[(2-propan-2-ylcyclohexyl)amino]methyl]furan-3-carboxylic acid?
5-[[(2-propan-2-ylcyclohexyl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-propan-2-ylcyclohexyl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 104609241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).