8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ol

C13H26N2O — CID 63768554

IUPAC8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCN(CC)CCN1C2CCC1CC(O)C2
InChIInChI=1S/C13H26N2O/c1-3-14(4-2)7-8-15-11-5-6-12(15)10-13(16)9-11/h11-13,16H,3-10H2,1-2H3
InChIKeyFBFBORWLJLRYAL-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.32
Rot. Bonds5

About 8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63768554) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63768554
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCN(CC)CCN1C2CCC1CC(O)C2
InChIInChI=1S/C13H26N2O/c1-3-14(4-2)7-8-15-11-5-6-12(15)10-13(16)9-11/h11-13,16H,3-10H2,1-2H3
InChIKeyFBFBORWLJLRYAL-UHFFFAOYSA-N
XLogP1.32
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63768554) is 8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ol is CCN(CC)CCN1C2CCC1CC(O)C2.
What is the InChIKey of 8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is FBFBORWLJLRYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-14(4-2)7-8-15-11-5-6-12(15)10-13(16)9-11/h11-13,16H,3-10H2,1-2H3.
What are the key properties of 8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 226.36 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63768554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).