tert-butyl 2-(pyridin-2-ylamino)hexanoate

C15H24N2O2 — CID 142660432

IUPACtert-butyl 2-(pyridin-2-ylamino)hexanoate
SMILESCCCCC(Nc1ccccn1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-5-6-9-12(14(18)19-15(2,3)4)17-13-10-7-8-11-16-13/h7-8,10-12H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyHRZTUGAAWNKZOK-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.39
Rot. Bonds6

About tert-butyl 2-(pyridin-2-ylamino)hexanoate

tert-butyl 2-(pyridin-2-ylamino)hexanoate (PubChem CID 142660432) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is tert-butyl 2-(pyridin-2-ylamino)hexanoate.

Molecular Properties

Compound Nametert-butyl 2-(pyridin-2-ylamino)hexanoate
PubChem CID142660432
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nametert-butyl 2-(pyridin-2-ylamino)hexanoate
SMILESCCCCC(Nc1ccccn1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-5-6-9-12(14(18)19-15(2,3)4)17-13-10-7-8-11-16-13/h7-8,10-12H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyHRZTUGAAWNKZOK-UHFFFAOYSA-N
XLogP3.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(pyridin-2-ylamino)hexanoate?
The IUPAC name of tert-butyl 2-(pyridin-2-ylamino)hexanoate (CID 142660432) is tert-butyl 2-(pyridin-2-ylamino)hexanoate.
What is the SMILES notation for tert-butyl 2-(pyridin-2-ylamino)hexanoate?
The canonical SMILES for tert-butyl 2-(pyridin-2-ylamino)hexanoate is CCCCC(Nc1ccccn1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(pyridin-2-ylamino)hexanoate?
The InChIKey is HRZTUGAAWNKZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-6-9-12(14(18)19-15(2,3)4)17-13-10-7-8-11-16-13/h7-8,10-12H,5-6,9H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl 2-(pyridin-2-ylamino)hexanoate?
tert-butyl 2-(pyridin-2-ylamino)hexanoate has a molecular weight of 264.37 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(pyridin-2-ylamino)hexanoate is sourced from PubChem (CID 142660432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).