5-[3-(dimethylamino)propyl-methylamino]furan-2-carboxylic acid

C11H18N2O3 — CID 63700572

IUPAC5-[3-(dimethylamino)propyl-methylamino]furan-2-carboxylic acid
SMILESCN(C)CCCN(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H18N2O3/c1-12(2)7-4-8-13(3)10-6-5-9(16-10)11(14)15/h5-6H,4,7-8H2,1-3H3,(H,14,15)
InChIKeyGFBHCKWMTLRZCG-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.37
Rot. Bonds6

About 5-[3-(dimethylamino)propyl-methylamino]furan-2-carboxylic acid

5-[3-(dimethylamino)propyl-methylamino]furan-2-carboxylic acid (PubChem CID 63700572) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propyl-methylamino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(dimethylamino)propyl-methylamino]furan-2-carboxylic acid
PubChem CID63700572
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name5-[3-(dimethylamino)propyl-methylamino]furan-2-carboxylic acid
SMILESCN(C)CCCN(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H18N2O3/c1-12(2)7-4-8-13(3)10-6-5-9(16-10)11(14)15/h5-6H,4,7-8H2,1-3H3,(H,14,15)
InChIKeyGFBHCKWMTLRZCG-UHFFFAOYSA-N
XLogP1.37
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(dimethylamino)propyl-ethylamino]methyl]furan-2-carboxylic acid
CID 102994678
5-[butyl(ethyl)amino]furan-2-carboxylic acid
CID 62205838
5-[methyl(oxan-4-ylmethyl)amino]furan-2-carboxylic acid
CID 63706715
5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid
CID 29077453
4-[3-(dimethylamino)propyl-methylamino]benzoic acid
CID 63695251
furan-2,5-dicarboxylic acid;indigane
CID 174700126
5-[bis(2-methylpropyl)amino]furan-2-carboxylic acid
CID 62206901
5-[methyl(3-methylbutan-2-yl)amino]furan-2-carboxylic acid
CID 62206897
5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]furan-2-carboxylic acid
CID 55050135
5-[2-methylpropyl(propan-2-yl)amino]furan-2-carboxylic acid
CID 62205507
5-[cyclobutyl(3-hydroxypropyl)amino]furan-2-carboxylic acid
CID 102863170
5-[[3-(dimethylamino)propyl-methylamino]methyl]furan-2-carbohydrazide
CID 63726556

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propyl-methylamino]furan-2-carboxylic acid?
The IUPAC name of 5-[3-(dimethylamino)propyl-methylamino]furan-2-carboxylic acid (CID 63700572) is 5-[3-(dimethylamino)propyl-methylamino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[3-(dimethylamino)propyl-methylamino]furan-2-carboxylic acid?
The canonical SMILES for 5-[3-(dimethylamino)propyl-methylamino]furan-2-carboxylic acid is CN(C)CCCN(C)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[3-(dimethylamino)propyl-methylamino]furan-2-carboxylic acid?
The InChIKey is GFBHCKWMTLRZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-12(2)7-4-8-13(3)10-6-5-9(16-10)11(14)15/h5-6H,4,7-8H2,1-3H3,(H,14,15).
What are the key properties of 5-[3-(dimethylamino)propyl-methylamino]furan-2-carboxylic acid?
5-[3-(dimethylamino)propyl-methylamino]furan-2-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propyl-methylamino]furan-2-carboxylic acid is sourced from PubChem (CID 63700572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).