4-[(5-ethylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid

C14H21NO3 — CID 65055158

IUPAC4-[(5-ethylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid
SMILESCCc1ccc(CNC2CCC(C(=O)O)CC2)o1
InChIInChI=1S/C14H21NO3/c1-2-12-7-8-13(18-12)9-15-11-5-3-10(4-6-11)14(16)17/h7-8,10-11,15H,2-6,9H2,1H3,(H,16,17)
InChIKeyJGSIOGVQVJDDIN-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.58
Rot. Bonds5

About 4-[(5-ethylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid

4-[(5-ethylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid (PubChem CID 65055158) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[(5-ethylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-ethylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid
PubChem CID65055158
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-[(5-ethylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid
SMILESCCc1ccc(CNC2CCC(C(=O)O)CC2)o1
InChIInChI=1S/C14H21NO3/c1-2-12-7-8-13(18-12)9-15-11-5-3-10(4-6-11)14(16)17/h7-8,10-11,15H,2-6,9H2,1H3,(H,16,17)
InChIKeyJGSIOGVQVJDDIN-UHFFFAOYSA-N
XLogP2.58
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-phenylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509758
N-[(5-ethylfuran-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63423900
4-[(5-methylfuran-2-yl)methylamino]cyclohexane-1-carboxamide
CID 43433249
[5-[(cyclopropylamino)methyl]furan-2-yl]methanol
CID 20559403
N-[(5-ethylfuran-2-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 75513016
4-[(2-chloro-6-ethylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509713
N-[(5-ethylfuran-2-yl)methyl]thiolan-3-amine
CID 103766021
N-[(5-ethylfuran-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 115881484
N-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 62344557
N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 62344751
4-[(4-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 79977776
4-[(4-iodophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 65478258

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(5-ethylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid (CID 65055158) is 4-[(5-ethylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(5-ethylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(5-ethylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid is CCc1ccc(CNC2CCC(C(=O)O)CC2)o1.
What is the InChIKey of 4-[(5-ethylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is JGSIOGVQVJDDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-12-7-8-13(18-12)9-15-11-5-3-10(4-6-11)14(16)17/h7-8,10-11,15H,2-6,9H2,1H3,(H,16,17).
What are the key properties of 4-[(5-ethylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid?
4-[(5-ethylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65055158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).