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

C8H16N2O — CID 45099439

IUPAC2-(3,8-diazabicyclo[3.2.1]octan-3-yl)ethanol
SMILESOCCN1CC2CCC(C1)N2
InChIInChI=1S/C8H16N2O/c11-4-3-10-5-7-1-2-8(6-10)9-7/h7-9,11H,1-6H2
InChIKeyAGEDXFUBBMPGED-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.59
Rot. Bonds2

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

2-(3,8-diazabicyclo[3.2.1]octan-3-yl)ethanol (PubChem CID 45099439) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-(3,8-diazabicyclo[3.2.1]octan-3-yl)ethanol.

Molecular Properties

Compound Name2-(3,8-diazabicyclo[3.2.1]octan-3-yl)ethanol
PubChem CID45099439
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-(3,8-diazabicyclo[3.2.1]octan-3-yl)ethanol
SMILESOCCN1CC2CCC(C1)N2
InChIInChI=1S/C8H16N2O/c11-4-3-10-5-7-1-2-8(6-10)9-7/h7-9,11H,1-6H2
InChIKeyAGEDXFUBBMPGED-UHFFFAOYSA-N
XLogP-0.59
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,8-diazabicyclo[3.2.1]octan-3-yl)ethanol?
The IUPAC name of 2-(3,8-diazabicyclo[3.2.1]octan-3-yl)ethanol (CID 45099439) is 2-(3,8-diazabicyclo[3.2.1]octan-3-yl)ethanol.
What is the SMILES notation for 2-(3,8-diazabicyclo[3.2.1]octan-3-yl)ethanol?
The canonical SMILES for 2-(3,8-diazabicyclo[3.2.1]octan-3-yl)ethanol is OCCN1CC2CCC(C1)N2.
What is the InChIKey of 2-(3,8-diazabicyclo[3.2.1]octan-3-yl)ethanol?
The InChIKey is AGEDXFUBBMPGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c11-4-3-10-5-7-1-2-8(6-10)9-7/h7-9,11H,1-6H2.
What are the key properties of 2-(3,8-diazabicyclo[3.2.1]octan-3-yl)ethanol?
2-(3,8-diazabicyclo[3.2.1]octan-3-yl)ethanol has a molecular weight of 156.23 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,8-diazabicyclo[3.2.1]octan-3-yl)ethanol is sourced from PubChem (CID 45099439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).