5-[[2-[cyclopentyl(methyl)amino]ethyl-methylamino]methyl]furan-2-carboxylic acid

C15H24N2O3 — CID 134714681

IUPAC5-[[2-[cyclopentyl(methyl)amino]ethyl-methylamino]methyl]furan-2-carboxylic acid
SMILESCN(CCN(C)C1CCCC1)Cc1ccc(C(=O)O)o1
InChIInChI=1S/C15H24N2O3/c1-16(9-10-17(2)12-5-3-4-6-12)11-13-7-8-14(20-13)15(18)19/h7-8,12H,3-6,9-11H2,1-2H3,(H,18,19)
InChIKeyYMEAQIDFIKBTPU-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.28
Rot. Bonds7

About 5-[[2-[cyclopentyl(methyl)amino]ethyl-methylamino]methyl]furan-2-carboxylic acid

5-[[2-[cyclopentyl(methyl)amino]ethyl-methylamino]methyl]furan-2-carboxylic acid (PubChem CID 134714681) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-[[2-[cyclopentyl(methyl)amino]ethyl-methylamino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-[cyclopentyl(methyl)amino]ethyl-methylamino]methyl]furan-2-carboxylic acid
PubChem CID134714681
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name5-[[2-[cyclopentyl(methyl)amino]ethyl-methylamino]methyl]furan-2-carboxylic acid
SMILESCN(CCN(C)C1CCCC1)Cc1ccc(C(=O)O)o1
InChIInChI=1S/C15H24N2O3/c1-16(9-10-17(2)12-5-3-4-6-12)11-13-7-8-14(20-13)15(18)19/h7-8,12H,3-6,9-11H2,1-2H3,(H,18,19)
InChIKeyYMEAQIDFIKBTPU-UHFFFAOYSA-N
XLogP2.28
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[methyl-(4-methylcyclohexyl)amino]methyl]furan-2-carboxylic acid
CID 61437134
5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid
CID 55174998
5-(cyclopropylmethyl)furan-2-carboxylic acid
CID 83815892
5-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-carboxylic acid
CID 43564388
5-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]furan-2-carboxylic acid
CID 82741959
5-[[2-cyanoethyl(cyclopropyl)amino]methyl]furan-2-carboxylic acid
CID 54997252
5-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylic acid
CID 106618138
5-[cyclohexyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 43149844
5-[cyclobutyl(3-hydroxypropyl)amino]furan-2-carboxylic acid
CID 102863170
N'-cyclohexyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
CID 178121519
5-[cyclobutyl(2-hydroxyethyl)amino]furan-2-carboxylic acid
CID 102863254
5-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide
CID 55214063

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[cyclopentyl(methyl)amino]ethyl-methylamino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[2-[cyclopentyl(methyl)amino]ethyl-methylamino]methyl]furan-2-carboxylic acid (CID 134714681) is 5-[[2-[cyclopentyl(methyl)amino]ethyl-methylamino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[2-[cyclopentyl(methyl)amino]ethyl-methylamino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[2-[cyclopentyl(methyl)amino]ethyl-methylamino]methyl]furan-2-carboxylic acid is CN(CCN(C)C1CCCC1)Cc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[2-[cyclopentyl(methyl)amino]ethyl-methylamino]methyl]furan-2-carboxylic acid?
The InChIKey is YMEAQIDFIKBTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-16(9-10-17(2)12-5-3-4-6-12)11-13-7-8-14(20-13)15(18)19/h7-8,12H,3-6,9-11H2,1-2H3,(H,18,19).
What are the key properties of 5-[[2-[cyclopentyl(methyl)amino]ethyl-methylamino]methyl]furan-2-carboxylic acid?
5-[[2-[cyclopentyl(methyl)amino]ethyl-methylamino]methyl]furan-2-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[cyclopentyl(methyl)amino]ethyl-methylamino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 134714681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).