5-[1-(1-cyclohexylpropylamino)ethyl]furan-2-carboxylic acid

C16H25NO3 — CID 103249989

IUPAC5-[1-(1-cyclohexylpropylamino)ethyl]furan-2-carboxylic acid
SMILESCCC(NC(C)c1ccc(C(=O)O)o1)C1CCCCC1
InChIInChI=1S/C16H25NO3/c1-3-13(12-7-5-4-6-8-12)17-11(2)14-9-10-15(20-14)16(18)19/h9-13,17H,3-8H2,1-2H3,(H,18,19)
InChIKeyGDJKQNYNGKVNHK-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.99
Rot. Bonds6

About 5-[1-(1-cyclohexylpropylamino)ethyl]furan-2-carboxylic acid

5-[1-(1-cyclohexylpropylamino)ethyl]furan-2-carboxylic acid (PubChem CID 103249989) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-[1-(1-cyclohexylpropylamino)ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(1-cyclohexylpropylamino)ethyl]furan-2-carboxylic acid
PubChem CID103249989
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name5-[1-(1-cyclohexylpropylamino)ethyl]furan-2-carboxylic acid
SMILESCCC(NC(C)c1ccc(C(=O)O)o1)C1CCCCC1
InChIInChI=1S/C16H25NO3/c1-3-13(12-7-5-4-6-8-12)17-11(2)14-9-10-15(20-14)16(18)19/h9-13,17H,3-8H2,1-2H3,(H,18,19)
InChIKeyGDJKQNYNGKVNHK-UHFFFAOYSA-N
XLogP3.99
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(pentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103231116
5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid
CID 103237753
5-[1-(2-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103244167
5-[1-(2,2-dicyclopropylethylamino)ethyl]furan-2-carboxylic acid
CID 103254915
5-[1-[(3-ethylcyclohexyl)amino]ethyl]furan-2-carboxylic acid
CID 103253786
2-[1-(1-cyclohexylpropylamino)ethyl]benzene-1,3-diol
CID 107710925
4-[1-(1-cyclohexylpropylamino)ethyl]phenol
CID 62407507
5-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]furan-2-carboxylic acid
CID 103251539
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-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]furan-2-carboxylic acid
CID 103257201
5-(1-cyclohexylsulfanylethyl)furan-2-carboxylic acid
CID 79084513

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-cyclohexylpropylamino)ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-(1-cyclohexylpropylamino)ethyl]furan-2-carboxylic acid (CID 103249989) is 5-[1-(1-cyclohexylpropylamino)ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-(1-cyclohexylpropylamino)ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-(1-cyclohexylpropylamino)ethyl]furan-2-carboxylic acid is CCC(NC(C)c1ccc(C(=O)O)o1)C1CCCCC1.
What is the InChIKey of 5-[1-(1-cyclohexylpropylamino)ethyl]furan-2-carboxylic acid?
The InChIKey is GDJKQNYNGKVNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-13(12-7-5-4-6-8-12)17-11(2)14-9-10-15(20-14)16(18)19/h9-13,17H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 5-[1-(1-cyclohexylpropylamino)ethyl]furan-2-carboxylic acid?
5-[1-(1-cyclohexylpropylamino)ethyl]furan-2-carboxylic acid has a molecular weight of 279.38 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-cyclohexylpropylamino)ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 103249989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).