5-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]furan-2-carboxylic acid

C14H24N2O3 — CID 114133440

IUPAC5-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]furan-2-carboxylic acid
SMILESCCCN(CC)CCNC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C14H24N2O3/c1-4-9-16(5-2)10-8-15-11(3)12-6-7-13(19-12)14(17)18/h6-7,11,15H,4-5,8-10H2,1-3H3,(H,17,18)
InChIKeyKKPIBHCAJKIXKB-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.36
Rot. Bonds9

About 5-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]furan-2-carboxylic acid

5-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]furan-2-carboxylic acid (PubChem CID 114133440) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]furan-2-carboxylic acid
PubChem CID114133440
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name5-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]furan-2-carboxylic acid
SMILESCCCN(CC)CCNC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C14H24N2O3/c1-4-9-16(5-2)10-8-15-11(3)12-6-7-13(19-12)14(17)18/h6-7,11,15H,4-5,8-10H2,1-3H3,(H,17,18)
InChIKeyKKPIBHCAJKIXKB-UHFFFAOYSA-N
XLogP2.36
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid
CID 103230958
5-[1-(dipropylamino)ethyl]furan-2-carboxylic acid
CID 20986641
5-[1-[[3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylic acid
CID 103245946
5-[1-(2-ethylbutylamino)ethyl]furan-2-carboxylic acid
CID 103267053
5-[1-[2-(4-fluorophenyl)ethylamino]ethyl]furan-2-carboxylic acid
CID 103231980
5-[1-(3-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 106330201
5-[1-[(2-ethylphenyl)methylamino]ethyl]furan-2-carboxylic acid
CID 103253263
5-[1-(pentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103231116
5-[1-[butyl(ethyl)amino]ethyl]furan-2-carboxylic acid
CID 20992998
5-[1-(dibutylamino)ethyl]furan-2-carboxylic acid
CID 22686704
5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid
CID 103237753
5-[1-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]ethyl]furan-2-carboxylic acid
CID 107866396

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]furan-2-carboxylic acid (CID 114133440) is 5-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]furan-2-carboxylic acid is CCCN(CC)CCNC(C)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]furan-2-carboxylic acid?
The InChIKey is KKPIBHCAJKIXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-9-16(5-2)10-8-15-11(3)12-6-7-13(19-12)14(17)18/h6-7,11,15H,4-5,8-10H2,1-3H3,(H,17,18).
What are the key properties of 5-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]furan-2-carboxylic acid?
5-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]furan-2-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 114133440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).