2-(azepan-1-yl)-1-morpholin-4-ylethanone;ethane

C14H28N2O2 — CID 143550802

IUPAC2-(azepan-1-yl)-1-morpholin-4-ylethanone;ethane
SMILESCC.O=C(CN1CCCCCC1)N1CCOCC1
InChIInChI=1S/C12H22N2O2.C2H6/c15-12(14-7-9-16-10-8-14)11-13-5-3-1-2-4-6-13;1-2/h1-11H2;1-2H3
InChIKeyUXMDPILTYWBTSL-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.75
Rot. Bonds2

About 2-(azepan-1-yl)-1-morpholin-4-ylethanone;ethane

2-(azepan-1-yl)-1-morpholin-4-ylethanone;ethane (PubChem CID 143550802) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-morpholin-4-ylethanone;ethane.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-morpholin-4-ylethanone;ethane
PubChem CID143550802
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-(azepan-1-yl)-1-morpholin-4-ylethanone;ethane
SMILESCC.O=C(CN1CCCCCC1)N1CCOCC1
InChIInChI=1S/C12H22N2O2.C2H6/c15-12(14-7-9-16-10-8-14)11-13-5-3-1-2-4-6-13;1-2/h1-11H2;1-2H3
InChIKeyUXMDPILTYWBTSL-UHFFFAOYSA-N
XLogP1.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-morpholin-4-ylethanone;ethane?
The IUPAC name of 2-(azepan-1-yl)-1-morpholin-4-ylethanone;ethane (CID 143550802) is 2-(azepan-1-yl)-1-morpholin-4-ylethanone;ethane.
What is the SMILES notation for 2-(azepan-1-yl)-1-morpholin-4-ylethanone;ethane?
The canonical SMILES for 2-(azepan-1-yl)-1-morpholin-4-ylethanone;ethane is CC.O=C(CN1CCCCCC1)N1CCOCC1.
What is the InChIKey of 2-(azepan-1-yl)-1-morpholin-4-ylethanone;ethane?
The InChIKey is UXMDPILTYWBTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2.C2H6/c15-12(14-7-9-16-10-8-14)11-13-5-3-1-2-4-6-13;1-2/h1-11H2;1-2H3.
What are the key properties of 2-(azepan-1-yl)-1-morpholin-4-ylethanone;ethane?
2-(azepan-1-yl)-1-morpholin-4-ylethanone;ethane has a molecular weight of 256.39 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-1-morpholin-4-ylethanone;ethane is sourced from PubChem (CID 143550802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).