1-(4-ethyl-1,4-diazepan-1-yl)ethanone;3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane

C17H33N3O2 — CID 166542954

IUPAC1-(4-ethyl-1,4-diazepan-1-yl)ethanone;3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCCN1CC2CCC(C1)O2.CCN1CCCN(C(C)=O)CC1
InChIInChI=1S/C9H18N2O.C8H15NO/c1-3-10-5-4-6-11(8-7-10)9(2)12;1-2-9-5-7-3-4-8(6-9)10-7/h3-8H2,1-2H3;7-8H,2-6H2,1H3
InChIKeyCWUYWUMQLSRCGY-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.43
Rot. Bonds2

About 1-(4-ethyl-1,4-diazepan-1-yl)ethanone;3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane

1-(4-ethyl-1,4-diazepan-1-yl)ethanone;3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 166542954) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-(4-ethyl-1,4-diazepan-1-yl)ethanone;3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1-(4-ethyl-1,4-diazepan-1-yl)ethanone;3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID166542954
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name1-(4-ethyl-1,4-diazepan-1-yl)ethanone;3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCCN1CC2CCC(C1)O2.CCN1CCCN(C(C)=O)CC1
InChIInChI=1S/C9H18N2O.C8H15NO/c1-3-10-5-4-6-11(8-7-10)9(2)12;1-2-9-5-7-3-4-8(6-9)10-7/h3-8H2,1-2H3;7-8H,2-6H2,1H3
InChIKeyCWUYWUMQLSRCGY-UHFFFAOYSA-N
XLogP1.43
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethyl-1,4-diazepan-1-yl)ethanone;3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

1-(5-ethyl-1,5-diazocan-1-yl)ethanone
CID 89081102
2-cyclopropyl-1-(4-ethyl-1,4-diazepan-1-yl)ethanone
CID 91255593
5-[(4-acetyl-1,4-diazepan-1-yl)methyl]oxolane-2-carbohydrazide
CID 63584925
1-[2-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 53015941
2-(4-acetyl-1,4-diazepan-1-yl)-N,N-dimethylacetamide
CID 60699636
1-(azetidin-1-yl)ethanone
CID 14061673
1-(2,6-dimethylmorpholin-4-yl)-2-(4-ethylpiperazin-1-yl)ethane-1,2-dione
CID 108504048
2-amino-1-(4-ethyl-1,4-diazepan-1-yl)propan-1-one
CID 83635043
2-chloro-1-(4-ethyl-1,4-diazepan-1-yl)prop-2-en-1-one
CID 131059736
2-(4-acetyl-1,4-diazepan-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 127883264
2-(4-acetyl-1,4-diazepan-1-yl)-1-(oxolan-3-yl)ethanone
CID 104750236
1-(4-prop-2-ynyl-1,4-diazepan-1-yl)ethanone
CID 60699723

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1,4-diazepan-1-yl)ethanone;3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 1-(4-ethyl-1,4-diazepan-1-yl)ethanone;3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane (CID 166542954) is 1-(4-ethyl-1,4-diazepan-1-yl)ethanone;3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 1-(4-ethyl-1,4-diazepan-1-yl)ethanone;3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 1-(4-ethyl-1,4-diazepan-1-yl)ethanone;3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane is CCN1CC2CCC(C1)O2.CCN1CCCN(C(C)=O)CC1.
What is the InChIKey of 1-(4-ethyl-1,4-diazepan-1-yl)ethanone;3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is CWUYWUMQLSRCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C8H15NO/c1-3-10-5-4-6-11(8-7-10)9(2)12;1-2-9-5-7-3-4-8(6-9)10-7/h3-8H2,1-2H3;7-8H,2-6H2,1H3.
What are the key properties of 1-(4-ethyl-1,4-diazepan-1-yl)ethanone;3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane?
1-(4-ethyl-1,4-diazepan-1-yl)ethanone;3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 311.47 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1,4-diazepan-1-yl)ethanone;3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 166542954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).