6-[(2-ethylhexylamino)methyl]pyridine-3-carboxylic acid

C15H24N2O2 — CID 107816753

IUPAC6-[(2-ethylhexylamino)methyl]pyridine-3-carboxylic acid
SMILESCCCCC(CC)CNCc1ccc(C(=O)O)cn1
InChIInChI=1S/C15H24N2O2/c1-3-5-6-12(4-2)9-16-11-14-8-7-13(10-17-14)15(18)19/h7-8,10,12,16H,3-6,9,11H2,1-2H3,(H,18,19)
InChIKeyCJNQOCZEJYQWBQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.09
Rot. Bonds9

About 6-[(2-ethylhexylamino)methyl]pyridine-3-carboxylic acid

6-[(2-ethylhexylamino)methyl]pyridine-3-carboxylic acid (PubChem CID 107816753) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-[(2-ethylhexylamino)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-ethylhexylamino)methyl]pyridine-3-carboxylic acid
PubChem CID107816753
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name6-[(2-ethylhexylamino)methyl]pyridine-3-carboxylic acid
SMILESCCCCC(CC)CNCc1ccc(C(=O)O)cn1
InChIInChI=1S/C15H24N2O2/c1-3-5-6-12(4-2)9-16-11-14-8-7-13(10-17-14)15(18)19/h7-8,10,12,16H,3-6,9,11H2,1-2H3,(H,18,19)
InChIKeyCJNQOCZEJYQWBQ-UHFFFAOYSA-N
XLogP3.09
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-ethyl-N-(pyridin-2-ylmethyl)hexan-1-amine
CID 7036530
4-[2-(2-ethylhexylamino)ethoxy]benzoic acid
CID 107816740
2-ethyl-N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine
CID 115698947
(2R)-N-benzyl-2-ethylhexan-1-amine
CID 11651454
4-(2-ethyldodecylamino)benzoic acid
CID 23457812
2-ethyl-N-[(6-methyl-2-pyridinyl)methyl]hexan-1-amine
CID 62323894
2-(5-amino-2-pyridinyl)-N-(2-ethylhexyl)acetamide
CID 107338276
3-[[(5-methyl-2-pyridinyl)methylamino]methyl]hexan-1-ol
CID 103768725
4-(2-ethylhexylamino)-3-fluorobenzoic acid
CID 114004413
2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine
CID 63420299
6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylic acid
CID 81177066
5-carbamothioyl-N-(2-ethylhexyl)pyridine-2-carboxamide
CID 107815245

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethylhexylamino)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(2-ethylhexylamino)methyl]pyridine-3-carboxylic acid (CID 107816753) is 6-[(2-ethylhexylamino)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2-ethylhexylamino)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2-ethylhexylamino)methyl]pyridine-3-carboxylic acid is CCCCC(CC)CNCc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[(2-ethylhexylamino)methyl]pyridine-3-carboxylic acid?
The InChIKey is CJNQOCZEJYQWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-5-6-12(4-2)9-16-11-14-8-7-13(10-17-14)15(18)19/h7-8,10,12,16H,3-6,9,11H2,1-2H3,(H,18,19).
What are the key properties of 6-[(2-ethylhexylamino)methyl]pyridine-3-carboxylic acid?
6-[(2-ethylhexylamino)methyl]pyridine-3-carboxylic acid has a molecular weight of 264.37 g/mol, XLogP of 3.09, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethylhexylamino)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 107816753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).