4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride

C9H14ClNO3 — CID 2967417

IUPAC4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride
SMILESCCCc1oc(C(=O)O)cc1CN.Cl
InChIInChI=1S/C9H13NO3.ClH/c1-2-3-7-6(5-10)4-8(13-7)9(11)12;/h4H,2-3,5,10H2,1H3,(H,11,12);1H
InChIKeyOKSOVYSCXPRWPJ-UHFFFAOYSA-N
MW219.67 g/mol
LogP1.81
Rot. Bonds4

About 4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride

4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride (PubChem CID 2967417) has the molecular formula C9H14ClNO3 and a molecular weight of 219.67 g/mol. Its IUPAC name is 4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride
PubChem CID2967417
Molecular FormulaC9H14ClNO3
Molecular Weight219.67 g/mol
Exact Mass219.07
IUPAC Name4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride
SMILESCCCc1oc(C(=O)O)cc1CN.Cl
InChIInChI=1S/C9H13NO3.ClH/c1-2-3-7-6(5-10)4-8(13-7)9(11)12;/h4H,2-3,5,10H2,1H3,(H,11,12);1H
InChIKeyOKSOVYSCXPRWPJ-UHFFFAOYSA-N
XLogP1.81
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Aminomethyl)-5-tert-butylfuran-2-carboxylic acid
CID 976763
5-(Aminomethyl)furan-2-carboxylic acid hydrochloride
CID 56807544
4-Aminomethyl-5-isobutyl-furan-2-carboxylic acid
CID 11948902
5-(2-Methylpropyl)-4-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride
CID 16195050
5-Propyl-4-pyrrolidin-1-ylmethyl-furan-2-carboxylic acid hydrochloride
CID 2967736
4-Morpholin-4-ylmethyl-5-propyl-furan-2-carboxylic acid hydrochloride
CID 2968710
4-Diethylaminomethyl-5-ethyl-furan-2-carboxylic acid hydrochloride
CID 6603152
Furan-2-carboxylic acid, 5-tert-butyl-3-diethylaminomethyl-
CID 894332
Ethyl 4-(aminomethyl)-5-methylfuran-2-carboxylate
CID 597199
5-Tert-butyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid
CID 893764
4-(Morpholinomethyl)-5-propylfuran-2-carboxylic acid
CID 935227
4-(Aminomethyl)-5-(2-methylpropyl)furan-2-carboxylic acid
CID 1132921

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride (CID 2967417) is 4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride is CCCc1oc(C(=O)O)cc1CN.Cl.
What is the InChIKey of 4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride?
The InChIKey is OKSOVYSCXPRWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3.ClH/c1-2-3-7-6(5-10)4-8(13-7)9(11)12;/h4H,2-3,5,10H2,1H3,(H,11,12);1H.
What are the key properties of 4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride?
4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride has a molecular weight of 219.67 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 2967417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).