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

C11H22N2O — CID 70209958

IUPAC2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanol
SMILESCC(C)N1CC2CCC(C1)N2CCO
InChIInChI=1S/C11H22N2O/c1-9(2)12-7-10-3-4-11(8-12)13(10)5-6-14/h9-11,14H,3-8H2,1-2H3
InChIKeyRYASOPGHLHFXDO-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.54
Rot. Bonds3

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

2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanol (PubChem CID 70209958) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanol.

Molecular Properties

Compound Name2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanol
PubChem CID70209958
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanol
SMILESCC(C)N1CC2CCC(C1)N2CCO
InChIInChI=1S/C11H22N2O/c1-9(2)12-7-10-3-4-11(8-12)13(10)5-6-14/h9-11,14H,3-8H2,1-2H3
InChIKeyRYASOPGHLHFXDO-UHFFFAOYSA-N
XLogP0.54
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanol?
The IUPAC name of 2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanol (CID 70209958) is 2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanol.
What is the SMILES notation for 2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanol?
The canonical SMILES for 2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanol is CC(C)N1CC2CCC(C1)N2CCO.
What is the InChIKey of 2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanol?
The InChIKey is RYASOPGHLHFXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)12-7-10-3-4-11(8-12)13(10)5-6-14/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanol?
2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanol has a molecular weight of 198.31 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanol is sourced from PubChem (CID 70209958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).