2-methyl-6-(2-pyridin-4-ylethylamino)heptanoic acid

C15H24N2O2 — CID 65289085

IUPAC2-methyl-6-(2-pyridin-4-ylethylamino)heptanoic acid
SMILESCC(CCCC(C)C(=O)O)NCCc1ccncc1
InChIInChI=1S/C15H24N2O2/c1-12(15(18)19)4-3-5-13(2)17-11-8-14-6-9-16-10-7-14/h6-7,9-10,12-13,17H,3-5,8,11H2,1-2H3,(H,18,19)
InChIKeyIKMGFTWDXQVOJS-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.49
Rot. Bonds9

About 2-methyl-6-(2-pyridin-4-ylethylamino)heptanoic acid

2-methyl-6-(2-pyridin-4-ylethylamino)heptanoic acid (PubChem CID 65289085) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-methyl-6-(2-pyridin-4-ylethylamino)heptanoic acid.

Molecular Properties

Compound Name2-methyl-6-(2-pyridin-4-ylethylamino)heptanoic acid
PubChem CID65289085
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-methyl-6-(2-pyridin-4-ylethylamino)heptanoic acid
SMILESCC(CCCC(C)C(=O)O)NCCc1ccncc1
InChIInChI=1S/C15H24N2O2/c1-12(15(18)19)4-3-5-13(2)17-11-8-14-6-9-16-10-7-14/h6-7,9-10,12-13,17H,3-5,8,11H2,1-2H3,(H,18,19)
InChIKeyIKMGFTWDXQVOJS-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(2-pyridin-4-ylethylamino)butanoic acid
CID 60890928
2-methyl-5-(pyridin-4-ylmethylcarbamoylamino)pentanoic acid
CID 104686194
2-methyl-6-(4-methylpentylamino)heptanoic acid
CID 83157356
2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid
CID 62639385
5-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686367
N-pentan-2-yl-2-(2-pyridin-4-ylethylamino)propanamide
CID 60903136
1-methylsulfonyl-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 64630354
methyl 2-(2-pyridin-4-ylethylamino)propanoate
CID 61499767
N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
CID 91928341
2-methyl-4-(pyridin-4-ylamino)butanoic acid
CID 80539478
2-(2-pyridin-4-ylethylsulfamoyl)propanoic acid
CID 54947129
3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
CID 60647906

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-pyridin-4-ylethylamino)heptanoic acid?
The IUPAC name of 2-methyl-6-(2-pyridin-4-ylethylamino)heptanoic acid (CID 65289085) is 2-methyl-6-(2-pyridin-4-ylethylamino)heptanoic acid.
What is the SMILES notation for 2-methyl-6-(2-pyridin-4-ylethylamino)heptanoic acid?
The canonical SMILES for 2-methyl-6-(2-pyridin-4-ylethylamino)heptanoic acid is CC(CCCC(C)C(=O)O)NCCc1ccncc1.
What is the InChIKey of 2-methyl-6-(2-pyridin-4-ylethylamino)heptanoic acid?
The InChIKey is IKMGFTWDXQVOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(15(18)19)4-3-5-13(2)17-11-8-14-6-9-16-10-7-14/h6-7,9-10,12-13,17H,3-5,8,11H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-6-(2-pyridin-4-ylethylamino)heptanoic acid?
2-methyl-6-(2-pyridin-4-ylethylamino)heptanoic acid has a molecular weight of 264.37 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-pyridin-4-ylethylamino)heptanoic acid is sourced from PubChem (CID 65289085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).