8-[2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl-methylamino]ethyl]-8-azabicyclo[3.2.1]octan-3-ol

C18H33N3O2 — CID 58400618

IUPAC8-[2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl-methylamino]ethyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN(CCN1C2CCC1CC(O)C2)CN1C2CCC1CC(O)C2
InChIInChI=1S/C18H33N3O2/c1-19(12-21-15-4-5-16(21)11-18(23)10-15)6-7-20-13-2-3-14(20)9-17(22)8-13/h13-18,22-23H,2-12H2,1H3
InChIKeyOFURIZNOJWBMIY-UHFFFAOYSA-N
MW323.48 g/mol
LogP0.85
Rot. Bonds5

About 8-[2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl-methylamino]ethyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl-methylamino]ethyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 58400618) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 8-[2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl-methylamino]ethyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl-methylamino]ethyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID58400618
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name8-[2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl-methylamino]ethyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN(CCN1C2CCC1CC(O)C2)CN1C2CCC1CC(O)C2
InChIInChI=1S/C18H33N3O2/c1-19(12-21-15-4-5-16(21)11-18(23)10-15)6-7-20-13-2-3-14(20)9-17(22)8-13/h13-18,22-23H,2-12H2,1H3
InChIKeyOFURIZNOJWBMIY-UHFFFAOYSA-N
XLogP0.85
TPSA50.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-[2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl-methylamino]ethyl]-8-azabicyclo[3.2.1]octan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl-methylamino]ethyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl-methylamino]ethyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 58400618) is 8-[2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl-methylamino]ethyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl-methylamino]ethyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl-methylamino]ethyl]-8-azabicyclo[3.2.1]octan-3-ol is CN(CCN1C2CCC1CC(O)C2)CN1C2CCC1CC(O)C2.
What is the InChIKey of 8-[2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl-methylamino]ethyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is OFURIZNOJWBMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-19(12-21-15-4-5-16(21)11-18(23)10-15)6-7-20-13-2-3-14(20)9-17(22)8-13/h13-18,22-23H,2-12H2,1H3.
What are the key properties of 8-[2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl-methylamino]ethyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl-methylamino]ethyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 323.48 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl-methylamino]ethyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 58400618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).