5-tert-butyl-4-(diethylaminomethyl)-2-methylfuran-3-carboxylic acid

C15H25NO3 — CID 795304

IUPAC5-tert-butyl-4-(diethylaminomethyl)-2-methylfuran-3-carboxylic acid
SMILESCCN(CC)Cc1c(C(C)(C)C)oc(C)c1C(=O)O
InChIInChI=1S/C15H25NO3/c1-7-16(8-2)9-11-12(14(17)18)10(3)19-13(11)15(4,5)6/h7-9H2,1-6H3,(H,17,18)
InChIKeyOSWQMXVRKAMZBC-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.43
Rot. Bonds5

About 5-tert-butyl-4-(diethylaminomethyl)-2-methylfuran-3-carboxylic acid

5-tert-butyl-4-(diethylaminomethyl)-2-methylfuran-3-carboxylic acid (PubChem CID 795304) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 5-tert-butyl-4-(diethylaminomethyl)-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-tert-butyl-4-(diethylaminomethyl)-2-methylfuran-3-carboxylic acid
PubChem CID795304
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name5-tert-butyl-4-(diethylaminomethyl)-2-methylfuran-3-carboxylic acid
SMILESCCN(CC)Cc1c(C(C)(C)C)oc(C)c1C(=O)O
InChIInChI=1S/C15H25NO3/c1-7-16(8-2)9-11-12(14(17)18)10(3)19-13(11)15(4,5)6/h7-9H2,1-6H3,(H,17,18)
InChIKeyOSWQMXVRKAMZBC-UHFFFAOYSA-N
XLogP3.43
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Aminomethyl)-2,5-dimethyl-3-furoic acid
CID 686825
5-Isobutyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid hydrochloride
CID 2931068
5-Tert-butyl-2-methyl-4-morpholin-4-ylmethyl-furan-3-carboxylic acid hydrochloride
CID 2932104
4-Aminomethyl-5-isobutyl-2-methyl-furan-3-carboxylic acid hydrochloride
CID 2950061
5-Tert-butyl-2-piperidin-1-ylmethyl-furan-3-carboxylic acid hydrochloride
CID 6603658
5-tert-Butyl-2-methyl-4-morpholin-4-ylmethyl-furan-3-carboxylic acid
CID 672005
4-Diethylaminomethyl-5-isobutyl-2-methyl-furan-3-carboxylic acid hydrochloride
CID 2933447
5-tert-Butyl-2-diethylaminomethyl-furan-3-carboxylic acid
CID 602533
5-tert-Butyl-2-piperidin-1-ylmethyl-furan-3-carboxylic acid
CID 653638
4-Diethylaminomethyl-5-isobutyl-2-methyl-furan-3-carboxylic acid
CID 769123
5-Tert-butyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid hydrochloride
CID 6603572
5-tert-Butyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid
CID 645233

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-(diethylaminomethyl)-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-tert-butyl-4-(diethylaminomethyl)-2-methylfuran-3-carboxylic acid (CID 795304) is 5-tert-butyl-4-(diethylaminomethyl)-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-tert-butyl-4-(diethylaminomethyl)-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-tert-butyl-4-(diethylaminomethyl)-2-methylfuran-3-carboxylic acid is CCN(CC)Cc1c(C(C)(C)C)oc(C)c1C(=O)O.
What is the InChIKey of 5-tert-butyl-4-(diethylaminomethyl)-2-methylfuran-3-carboxylic acid?
The InChIKey is OSWQMXVRKAMZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-7-16(8-2)9-11-12(14(17)18)10(3)19-13(11)15(4,5)6/h7-9H2,1-6H3,(H,17,18).
What are the key properties of 5-tert-butyl-4-(diethylaminomethyl)-2-methylfuran-3-carboxylic acid?
5-tert-butyl-4-(diethylaminomethyl)-2-methylfuran-3-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-(diethylaminomethyl)-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 795304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).