ethyl 4-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate

C15H28N2O2 — CID 64578760

IUPACethyl 4-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate
SMILESCCNC1CC2CCC(C1)N2CCCC(=O)OCC
InChIInChI=1S/C15H28N2O2/c1-3-16-12-10-13-7-8-14(11-12)17(13)9-5-6-15(18)19-4-2/h12-14,16H,3-11H2,1-2H3
InChIKeyIVGXCCXGGRTFRU-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.93
Rot. Bonds7

About ethyl 4-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate

ethyl 4-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate (PubChem CID 64578760) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is ethyl 4-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate
PubChem CID64578760
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nameethyl 4-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate
SMILESCCNC1CC2CCC(C1)N2CCCC(=O)OCC
InChIInChI=1S/C15H28N2O2/c1-3-16-12-10-13-7-8-14(11-12)17(13)9-5-6-15(18)19-4-2/h12-14,16H,3-11H2,1-2H3
InChIKeyIVGXCCXGGRTFRU-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate?
The IUPAC name of ethyl 4-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate (CID 64578760) is ethyl 4-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate.
What is the SMILES notation for ethyl 4-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate?
The canonical SMILES for ethyl 4-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate is CCNC1CC2CCC(C1)N2CCCC(=O)OCC.
What is the InChIKey of ethyl 4-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate?
The InChIKey is IVGXCCXGGRTFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-16-12-10-13-7-8-14(11-12)17(13)9-5-6-15(18)19-4-2/h12-14,16H,3-11H2,1-2H3.
What are the key properties of ethyl 4-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate?
ethyl 4-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate has a molecular weight of 268.40 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate is sourced from PubChem (CID 64578760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).