3-methyl-5-[[(2-methylcyclohexyl)methylamino]methyl]furan-2-carboxylic acid

C15H23NO3 — CID 103243474

IUPAC3-methyl-5-[[(2-methylcyclohexyl)methylamino]methyl]furan-2-carboxylic acid
SMILESCc1cc(CNCC2CCCCC2C)oc1C(=O)O
InChIInChI=1S/C15H23NO3/c1-10-5-3-4-6-12(10)8-16-9-13-7-11(2)14(19-13)15(17)18/h7,10,12,16H,3-6,8-9H2,1-2H3,(H,17,18)
InChIKeyDAPHUWVNUCNDQI-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.20
Rot. Bonds5

About 3-methyl-5-[[(2-methylcyclohexyl)methylamino]methyl]furan-2-carboxylic acid

3-methyl-5-[[(2-methylcyclohexyl)methylamino]methyl]furan-2-carboxylic acid (PubChem CID 103243474) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-methyl-5-[[(2-methylcyclohexyl)methylamino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[[(2-methylcyclohexyl)methylamino]methyl]furan-2-carboxylic acid
PubChem CID103243474
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-methyl-5-[[(2-methylcyclohexyl)methylamino]methyl]furan-2-carboxylic acid
SMILESCc1cc(CNCC2CCCCC2C)oc1C(=O)O
InChIInChI=1S/C15H23NO3/c1-10-5-3-4-6-12(10)8-16-9-13-7-11(2)14(19-13)15(17)18/h7,10,12,16H,3-6,8-9H2,1-2H3,(H,17,18)
InChIKeyDAPHUWVNUCNDQI-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-cyclopentylethylamino)methyl]-3-methylfuran-2-carboxylic acid
CID 103240042
5-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]-3-methylfuran-2-carboxylic acid
CID 114178848
5-(ethylaminomethyl)-3-methylfuran-2-carboxylic acid
CID 103230364
5-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3-methylfuran-2-carboxylic acid
CID 103259950
5-[[(3,4-dimethylcyclohexyl)amino]methyl]-3-methylfuran-2-carboxylic acid
CID 103253350
5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-3-methylfuran-2-carboxylic acid
CID 114133409
3-methyl-5-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carboxylic acid
CID 103262594
5-[(hydroxyamino)methyl]-3-methylfuran-2-carboxylic acid
CID 103282683
3-methyl-5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 103255451
3-methyl-5-[(oxetan-3-ylamino)methyl]furan-2-carboxylic acid
CID 103256862
N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63456073
4-[[(2-methylcyclohexyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103243495

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[(2-methylcyclohexyl)methylamino]methyl]furan-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[[(2-methylcyclohexyl)methylamino]methyl]furan-2-carboxylic acid (CID 103243474) is 3-methyl-5-[[(2-methylcyclohexyl)methylamino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[[(2-methylcyclohexyl)methylamino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[[(2-methylcyclohexyl)methylamino]methyl]furan-2-carboxylic acid is Cc1cc(CNCC2CCCCC2C)oc1C(=O)O.
What is the InChIKey of 3-methyl-5-[[(2-methylcyclohexyl)methylamino]methyl]furan-2-carboxylic acid?
The InChIKey is DAPHUWVNUCNDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-5-3-4-6-12(10)8-16-9-13-7-11(2)14(19-13)15(17)18/h7,10,12,16H,3-6,8-9H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-5-[[(2-methylcyclohexyl)methylamino]methyl]furan-2-carboxylic acid?
3-methyl-5-[[(2-methylcyclohexyl)methylamino]methyl]furan-2-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[(2-methylcyclohexyl)methylamino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 103243474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).