4-(diethylaminomethyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid;hydrochloride

C15H26ClNO3 — CID 2933447

IUPAC4-(diethylaminomethyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid;hydrochloride
SMILESCCN(CC)Cc1c(CC(C)C)oc(C)c1C(=O)O.Cl
InChIInChI=1S/C15H25NO3.ClH/c1-6-16(7-2)9-12-13(8-10(3)4)19-11(5)14(12)15(17)18;/h10H,6-9H2,1-5H3,(H,17,18);1H
InChIKeyNMOFOAQTWGWAOY-UHFFFAOYSA-N
MW303.83 g/mol
LogP3.75
Rot. Bonds7

About 4-(diethylaminomethyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid;hydrochloride

4-(diethylaminomethyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid;hydrochloride (PubChem CID 2933447) has the molecular formula C15H26ClNO3 and a molecular weight of 303.83 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(diethylaminomethyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid;hydrochloride
PubChem CID2933447
Molecular FormulaC15H26ClNO3
Molecular Weight303.83 g/mol
Exact Mass303.16
IUPAC Name4-(diethylaminomethyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid;hydrochloride
SMILESCCN(CC)Cc1c(CC(C)C)oc(C)c1C(=O)O.Cl
InChIInChI=1S/C15H25NO3.ClH/c1-6-16(7-2)9-12-13(8-10(3)4)19-11(5)14(12)15(17)18;/h10H,6-9H2,1-5H3,(H,17,18);1H
InChIKeyNMOFOAQTWGWAOY-UHFFFAOYSA-N
XLogP3.75
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Aminomethyl)-2,5-dimethyl-3-furoic acid
CID 686825
4-[(2-Methyl-4,5,6,7-Tetrahydro-Benzofuran-3-Carbonyl)-Amino]-Butyric Acid
CID 595720
Cambridge id 7229598
CID 2931068
5-(Tert-butyl)-2-methyl-4-(morpholinomethyl)furan-3-carboxylic acid hydrochloride
CID 2932104
4-Aminomethyl-5-isobutyl-2-methyl-furan-3-carboxylic acid hydrochloride
CID 2950061
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
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
5-Isobutyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid
CID 645606
5-Isobutyl-2-methyl-4-morpholin-4-ylmethyl-furan-3-carboxylic acid
CID 784896
2-Methyl-5-(2-methylpropyl)-4-(piperidin-1-ylmethyl)furan-3-carboxylic acid
CID 778069

Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid;hydrochloride?
The IUPAC name of 4-(diethylaminomethyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid;hydrochloride (CID 2933447) is 4-(diethylaminomethyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(diethylaminomethyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(diethylaminomethyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid;hydrochloride is CCN(CC)Cc1c(CC(C)C)oc(C)c1C(=O)O.Cl.
What is the InChIKey of 4-(diethylaminomethyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid;hydrochloride?
The InChIKey is NMOFOAQTWGWAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3.ClH/c1-6-16(7-2)9-12-13(8-10(3)4)19-11(5)14(12)15(17)18;/h10H,6-9H2,1-5H3,(H,17,18);1H.
What are the key properties of 4-(diethylaminomethyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid;hydrochloride?
4-(diethylaminomethyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid;hydrochloride has a molecular weight of 303.83 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminomethyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 2933447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).