2-aminoethyl 5-butylpyridine-2-carboxylate

C12H18N2O2 — CID 54300012

IUPAC2-aminoethyl 5-butylpyridine-2-carboxylate
SMILESCCCCc1ccc(C(=O)OCCN)nc1
InChIInChI=1S/C12H18N2O2/c1-2-3-4-10-5-6-11(14-9-10)12(15)16-8-7-13/h5-6,9H,2-4,7-8,13H2,1H3
InChIKeySDNGXZBBBIFRTD-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.54
Rot. Bonds6

About 2-aminoethyl 5-butylpyridine-2-carboxylate

2-aminoethyl 5-butylpyridine-2-carboxylate (PubChem CID 54300012) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-aminoethyl 5-butylpyridine-2-carboxylate.

Molecular Properties

Compound Name2-aminoethyl 5-butylpyridine-2-carboxylate
PubChem CID54300012
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-aminoethyl 5-butylpyridine-2-carboxylate
SMILESCCCCc1ccc(C(=O)OCCN)nc1
InChIInChI=1S/C12H18N2O2/c1-2-3-4-10-5-6-11(14-9-10)12(15)16-8-7-13/h5-6,9H,2-4,7-8,13H2,1H3
InChIKeySDNGXZBBBIFRTD-UHFFFAOYSA-N
XLogP1.54
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 5-butylpyridine-2-carboxylate
CID 67977918
[(2R,3R)-3-hydroxybutan-2-yl] 5-butylpyridine-2-carboxylate
CID 146682367
bis(5-butylpyridine-2-carboxylic acid);copper(1+)
CID 42613105
tris(5-butylpyridine-2-carboxylic acid);iron
CID 91867238
dibutyl pyridine-2,5-dicarboxylate
CID 4266603
butyl 5-aminopyridine-2-carboxylate
CID 81315833
3-methoxypropyl 5-(aminomethyl)pyridine-2-carboxylate
CID 81100505
3-(5-butyl-2-pyridinyl)-3-oxopropanoic acid
CID 66692091
1-(4-nonylphenyl)propyl 5-heptylpyridine-2-carboxylate
CID 54388915
2-phenoxyethyl 5-(aminomethyl)pyridine-2-carboxylate
CID 81099710
(E)-4-[7-(5-butyl-2-pyridinyl)-7-oxoheptoxy]-4-oxobut-2-enoic acid
CID 175483643
1-[4-(4-nonoxyphenyl)phenyl]propyl 5-octylpyridine-2-carboxylate
CID 54138721

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 5-butylpyridine-2-carboxylate?
The IUPAC name of 2-aminoethyl 5-butylpyridine-2-carboxylate (CID 54300012) is 2-aminoethyl 5-butylpyridine-2-carboxylate.
What is the SMILES notation for 2-aminoethyl 5-butylpyridine-2-carboxylate?
The canonical SMILES for 2-aminoethyl 5-butylpyridine-2-carboxylate is CCCCc1ccc(C(=O)OCCN)nc1.
What is the InChIKey of 2-aminoethyl 5-butylpyridine-2-carboxylate?
The InChIKey is SDNGXZBBBIFRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-3-4-10-5-6-11(14-9-10)12(15)16-8-7-13/h5-6,9H,2-4,7-8,13H2,1H3.
What are the key properties of 2-aminoethyl 5-butylpyridine-2-carboxylate?
2-aminoethyl 5-butylpyridine-2-carboxylate has a molecular weight of 222.29 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 5-butylpyridine-2-carboxylate is sourced from PubChem (CID 54300012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).