5-[[2-[ethyl(propyl)amino]ethylamino]methyl]-3-methylfuran-2-carboxylic acid

C14H24N2O3 — CID 114133673

IUPAC5-[[2-[ethyl(propyl)amino]ethylamino]methyl]-3-methylfuran-2-carboxylic acid
SMILESCCCN(CC)CCNCc1cc(C)c(C(=O)O)o1
InChIInChI=1S/C14H24N2O3/c1-4-7-16(5-2)8-6-15-10-12-9-11(3)13(19-12)14(17)18/h9,15H,4-8,10H2,1-3H3,(H,17,18)
InChIKeyRCMQJNJPUOAFRT-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.11
Rot. Bonds9

About 5-[[2-[ethyl(propyl)amino]ethylamino]methyl]-3-methylfuran-2-carboxylic acid

5-[[2-[ethyl(propyl)amino]ethylamino]methyl]-3-methylfuran-2-carboxylic acid (PubChem CID 114133673) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-[[2-[ethyl(propyl)amino]ethylamino]methyl]-3-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-[ethyl(propyl)amino]ethylamino]methyl]-3-methylfuran-2-carboxylic acid
PubChem CID114133673
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name5-[[2-[ethyl(propyl)amino]ethylamino]methyl]-3-methylfuran-2-carboxylic acid
SMILESCCCN(CC)CCNCc1cc(C)c(C(=O)O)o1
InChIInChI=1S/C14H24N2O3/c1-4-7-16(5-2)8-6-15-10-12-9-11(3)13(19-12)14(17)18/h9,15H,4-8,10H2,1-3H3,(H,17,18)
InChIKeyRCMQJNJPUOAFRT-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(diethylamino)ethylamino]methyl]-3-methylfuran-2-carboxylic acid
CID 103234085
5-(ethylaminomethyl)-3-methylfuran-2-carboxylic acid
CID 103230364
5-[(dipropylamino)methyl]-3-methylfuran-2-carboxylic acid
CID 43621043
5-[(4-methoxybutylamino)methyl]-3-methylfuran-2-carboxylic acid
CID 103244324
5-[(hydroxyamino)methyl]-3-methylfuran-2-carboxylic acid
CID 103282683
5-[[(2-ethoxy-2-oxoethyl)amino]methyl]-3-methylfuran-2-carboxylic acid
CID 103239577
5-[(2,2-dimethylbutylamino)methyl]-3-methylfuran-2-carboxylic acid
CID 103462758
3-methyl-5-[(3-phenylpropylamino)methyl]furan-2-carboxylic acid
CID 103239828
5-[(2-cyclopentylethylamino)methyl]-3-methylfuran-2-carboxylic acid
CID 103240042
5-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-3-methylfuran-2-carboxylic acid
CID 106149092
3-methyl-5-[[[3-(2-methylpropylamino)-3-oxopropyl]amino]methyl]furan-2-carboxylic acid
CID 103263372
5-[[2-(4-methoxyphenyl)ethylamino]methyl]-3-methylfuran-2-carboxylic acid
CID 103232742

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[ethyl(propyl)amino]ethylamino]methyl]-3-methylfuran-2-carboxylic acid?
The IUPAC name of 5-[[2-[ethyl(propyl)amino]ethylamino]methyl]-3-methylfuran-2-carboxylic acid (CID 114133673) is 5-[[2-[ethyl(propyl)amino]ethylamino]methyl]-3-methylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[[2-[ethyl(propyl)amino]ethylamino]methyl]-3-methylfuran-2-carboxylic acid?
The canonical SMILES for 5-[[2-[ethyl(propyl)amino]ethylamino]methyl]-3-methylfuran-2-carboxylic acid is CCCN(CC)CCNCc1cc(C)c(C(=O)O)o1.
What is the InChIKey of 5-[[2-[ethyl(propyl)amino]ethylamino]methyl]-3-methylfuran-2-carboxylic acid?
The InChIKey is RCMQJNJPUOAFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-7-16(5-2)8-6-15-10-12-9-11(3)13(19-12)14(17)18/h9,15H,4-8,10H2,1-3H3,(H,17,18).
What are the key properties of 5-[[2-[ethyl(propyl)amino]ethylamino]methyl]-3-methylfuran-2-carboxylic acid?
5-[[2-[ethyl(propyl)amino]ethylamino]methyl]-3-methylfuran-2-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[ethyl(propyl)amino]ethylamino]methyl]-3-methylfuran-2-carboxylic acid is sourced from PubChem (CID 114133673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).