5-[1-[(3-ethylcyclohexyl)amino]ethyl]furan-2-carboxylic acid

C15H23NO3 — CID 103253786

IUPAC5-[1-[(3-ethylcyclohexyl)amino]ethyl]furan-2-carboxylic acid
SMILESCCC1CCCC(NC(C)c2ccc(C(=O)O)o2)C1
InChIInChI=1S/C15H23NO3/c1-3-11-5-4-6-12(9-11)16-10(2)13-7-8-14(19-13)15(17)18/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyKTAUPBBEDUDHGU-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.60
Rot. Bonds5

About 5-[1-[(3-ethylcyclohexyl)amino]ethyl]furan-2-carboxylic acid

5-[1-[(3-ethylcyclohexyl)amino]ethyl]furan-2-carboxylic acid (PubChem CID 103253786) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-[1-[(3-ethylcyclohexyl)amino]ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[(3-ethylcyclohexyl)amino]ethyl]furan-2-carboxylic acid
PubChem CID103253786
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name5-[1-[(3-ethylcyclohexyl)amino]ethyl]furan-2-carboxylic acid
SMILESCCC1CCCC(NC(C)c2ccc(C(=O)O)o2)C1
InChIInChI=1S/C15H23NO3/c1-3-11-5-4-6-12(9-11)16-10(2)13-7-8-14(19-13)15(17)18/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyKTAUPBBEDUDHGU-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid
CID 103237753
5-[1-[(1-oxothian-4-yl)amino]ethyl]furan-2-carboxylic acid
CID 103264882
3-ethyl-N-[1-(4-iodophenyl)ethyl]cyclohexan-1-amine
CID 64742976
3-[1-(5-bromofuran-2-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 113437711
(2R)-2-[(3-ethylcyclohexyl)amino]-N,N-dimethylpropanamide
CID 103903038
5-(4-ethylazepane-1-carbonyl)furan-2-carboxylic acid
CID 75356033
3-ethyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81371165
5-[1-(5-ethyl-2-methylpiperidin-1-yl)ethyl]furan-2-carboxylic acid
CID 112734478
1-(azepan-1-yl)-2-[(3-ethylcyclohexyl)amino]propan-1-one
CID 64741045
5-[1-(2-ethylpyrrolidin-1-yl)ethyl]furan-2-carboxylic acid
CID 79083753
5-[1-(2-ethylbutylamino)ethyl]furan-2-carboxylic acid
CID 103267053
5-[1-(2-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103244167

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-ethylcyclohexyl)amino]ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-[(3-ethylcyclohexyl)amino]ethyl]furan-2-carboxylic acid (CID 103253786) is 5-[1-[(3-ethylcyclohexyl)amino]ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-[(3-ethylcyclohexyl)amino]ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-[(3-ethylcyclohexyl)amino]ethyl]furan-2-carboxylic acid is CCC1CCCC(NC(C)c2ccc(C(=O)O)o2)C1.
What is the InChIKey of 5-[1-[(3-ethylcyclohexyl)amino]ethyl]furan-2-carboxylic acid?
The InChIKey is KTAUPBBEDUDHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-11-5-4-6-12(9-11)16-10(2)13-7-8-14(19-13)15(17)18/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,17,18).
What are the key properties of 5-[1-[(3-ethylcyclohexyl)amino]ethyl]furan-2-carboxylic acid?
5-[1-[(3-ethylcyclohexyl)amino]ethyl]furan-2-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-ethylcyclohexyl)amino]ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 103253786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).