1-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone

C10H18N2O — CID 123960456

IUPAC1-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone
SMILESCCN1CC2CCC(C1)N2C(C)=O
InChIInChI=1S/C10H18N2O/c1-3-11-6-9-4-5-10(7-11)12(9)8(2)13/h9-10H,3-7H2,1-2H3
InChIKeyQJKGOMFIHJFGNU-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.70
Rot. Bonds1

About 1-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone

1-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone (PubChem CID 123960456) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone
PubChem CID123960456
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone
SMILESCCN1CC2CCC(C1)N2C(C)=O
InChIInChI=1S/C10H18N2O/c1-3-11-6-9-4-5-10(7-11)12(9)8(2)13/h9-10H,3-7H2,1-2H3
InChIKeyQJKGOMFIHJFGNU-UHFFFAOYSA-N
XLogP0.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone?
The IUPAC name of 1-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone (CID 123960456) is 1-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone.
What is the SMILES notation for 1-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone?
The canonical SMILES for 1-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone is CCN1CC2CCC(C1)N2C(C)=O.
What is the InChIKey of 1-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone?
The InChIKey is QJKGOMFIHJFGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-11-6-9-4-5-10(7-11)12(9)8(2)13/h9-10H,3-7H2,1-2H3.
What are the key properties of 1-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone?
1-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone has a molecular weight of 182.27 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone is sourced from PubChem (CID 123960456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).