1-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone

C11H20N2O — CID 70209663

IUPAC1-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCC(=O)N1CC2CCC(C1)N2C(C)C
InChIInChI=1S/C11H20N2O/c1-8(2)13-10-4-5-11(13)7-12(6-10)9(3)14/h8,10-11H,4-7H2,1-3H3
InChIKeyZCNJVNBUPAGVAY-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.09
Rot. Bonds1

About 1-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone

1-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone (PubChem CID 70209663) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone.

Molecular Properties

Compound Name1-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone
PubChem CID70209663
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCC(=O)N1CC2CCC(C1)N2C(C)C
InChIInChI=1S/C11H20N2O/c1-8(2)13-10-4-5-11(13)7-12(6-10)9(3)14/h8,10-11H,4-7H2,1-3H3
InChIKeyZCNJVNBUPAGVAY-UHFFFAOYSA-N
XLogP1.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone?
The IUPAC name of 1-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone (CID 70209663) is 1-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone.
What is the SMILES notation for 1-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone?
The canonical SMILES for 1-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone is CC(=O)N1CC2CCC(C1)N2C(C)C.
What is the InChIKey of 1-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone?
The InChIKey is ZCNJVNBUPAGVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(2)13-10-4-5-11(13)7-12(6-10)9(3)14/h8,10-11H,4-7H2,1-3H3.
What are the key properties of 1-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone?
1-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone has a molecular weight of 196.29 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone is sourced from PubChem (CID 70209663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).