methyl 2-[ethyl(pyridin-4-ylmethyl)amino]hexanoate

C15H24N2O2 — CID 112548725

IUPACmethyl 2-[ethyl(pyridin-4-ylmethyl)amino]hexanoate
SMILESCCCCC(C(=O)OC)N(CC)Cc1ccncc1
InChIInChI=1S/C15H24N2O2/c1-4-6-7-14(15(18)19-3)17(5-2)12-13-8-10-16-11-9-13/h8-11,14H,4-7,12H2,1-3H3
InChIKeyLRKJNNXAKCIJJE-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.64
Rot. Bonds8

About methyl 2-[ethyl(pyridin-4-ylmethyl)amino]hexanoate

methyl 2-[ethyl(pyridin-4-ylmethyl)amino]hexanoate (PubChem CID 112548725) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is methyl 2-[ethyl(pyridin-4-ylmethyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 2-[ethyl(pyridin-4-ylmethyl)amino]hexanoate
PubChem CID112548725
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Namemethyl 2-[ethyl(pyridin-4-ylmethyl)amino]hexanoate
SMILESCCCCC(C(=O)OC)N(CC)Cc1ccncc1
InChIInChI=1S/C15H24N2O2/c1-4-6-7-14(15(18)19-3)17(5-2)12-13-8-10-16-11-9-13/h8-11,14H,4-7,12H2,1-3H3
InChIKeyLRKJNNXAKCIJJE-UHFFFAOYSA-N
XLogP2.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl(pyridin-4-ylmethyl)amino]hexanoate?
The IUPAC name of methyl 2-[ethyl(pyridin-4-ylmethyl)amino]hexanoate (CID 112548725) is methyl 2-[ethyl(pyridin-4-ylmethyl)amino]hexanoate.
What is the SMILES notation for methyl 2-[ethyl(pyridin-4-ylmethyl)amino]hexanoate?
The canonical SMILES for methyl 2-[ethyl(pyridin-4-ylmethyl)amino]hexanoate is CCCCC(C(=O)OC)N(CC)Cc1ccncc1.
What is the InChIKey of methyl 2-[ethyl(pyridin-4-ylmethyl)amino]hexanoate?
The InChIKey is LRKJNNXAKCIJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-6-7-14(15(18)19-3)17(5-2)12-13-8-10-16-11-9-13/h8-11,14H,4-7,12H2,1-3H3.
What are the key properties of methyl 2-[ethyl(pyridin-4-ylmethyl)amino]hexanoate?
methyl 2-[ethyl(pyridin-4-ylmethyl)amino]hexanoate has a molecular weight of 264.37 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl(pyridin-4-ylmethyl)amino]hexanoate is sourced from PubChem (CID 112548725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).