2-(azocan-1-yl)-1-[(3S)-3-ethylmorpholin-4-yl]ethanone

C15H28N2O2 — CID 70746234

IUPAC2-(azocan-1-yl)-1-[(3S)-3-ethylmorpholin-4-yl]ethanone
SMILESCC[C@H]1COCCN1C(=O)CN1CCCCCCC1
InChIInChI=1S/C15H28N2O2/c1-2-14-13-19-11-10-17(14)15(18)12-16-8-6-4-3-5-7-9-16/h14H,2-13H2,1H3/t14-/m0/s1
InChIKeyHGECYFWDZQMJEI-AWEZNQCLSA-N
MW268.40 g/mol
LogP1.89
Rot. Bonds3

About 2-(azocan-1-yl)-1-[(3S)-3-ethylmorpholin-4-yl]ethanone

2-(azocan-1-yl)-1-[(3S)-3-ethylmorpholin-4-yl]ethanone (PubChem CID 70746234) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(azocan-1-yl)-1-[(3S)-3-ethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(azocan-1-yl)-1-[(3S)-3-ethylmorpholin-4-yl]ethanone
PubChem CID70746234
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-(azocan-1-yl)-1-[(3S)-3-ethylmorpholin-4-yl]ethanone
SMILESCC[C@H]1COCCN1C(=O)CN1CCCCCCC1
InChIInChI=1S/C15H28N2O2/c1-2-14-13-19-11-10-17(14)15(18)12-16-8-6-4-3-5-7-9-16/h14H,2-13H2,1H3/t14-/m0/s1
InChIKeyHGECYFWDZQMJEI-AWEZNQCLSA-N
XLogP1.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-1-[(3S)-3-ethylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(azocan-1-yl)-1-[(3S)-3-ethylmorpholin-4-yl]ethanone (CID 70746234) is 2-(azocan-1-yl)-1-[(3S)-3-ethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(azocan-1-yl)-1-[(3S)-3-ethylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(azocan-1-yl)-1-[(3S)-3-ethylmorpholin-4-yl]ethanone is CC[C@H]1COCCN1C(=O)CN1CCCCCCC1.
What is the InChIKey of 2-(azocan-1-yl)-1-[(3S)-3-ethylmorpholin-4-yl]ethanone?
The InChIKey is HGECYFWDZQMJEI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-14-13-19-11-10-17(14)15(18)12-16-8-6-4-3-5-7-9-16/h14H,2-13H2,1H3/t14-/m0/s1.
What are the key properties of 2-(azocan-1-yl)-1-[(3S)-3-ethylmorpholin-4-yl]ethanone?
2-(azocan-1-yl)-1-[(3S)-3-ethylmorpholin-4-yl]ethanone has a molecular weight of 268.40 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-1-[(3S)-3-ethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 70746234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).