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

C13H25NO — CID 67587815

IUPAC8-ethyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCN1C2CCC1CC(O)(CC(C)C)C2
InChIInChI=1S/C13H25NO/c1-4-14-11-5-6-12(14)9-13(15,8-11)7-10(2)3/h10-12,15H,4-9H2,1-3H3
InChIKeyPCEBIFIAQCYKGZ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.41
Rot. Bonds3

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

8-ethyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 67587815) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 8-ethyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-ethyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID67587815
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name8-ethyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCN1C2CCC1CC(O)(CC(C)C)C2
InChIInChI=1S/C13H25NO/c1-4-14-11-5-6-12(14)9-13(15,8-11)7-10(2)3/h10-12,15H,4-9H2,1-3H3
InChIKeyPCEBIFIAQCYKGZ-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-ethyl-3-(2-methylpropyl)-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-ethyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-ethyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 67587815) is 8-ethyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-ethyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-ethyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-ol is CCN1C2CCC1CC(O)(CC(C)C)C2.
What is the InChIKey of 8-ethyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is PCEBIFIAQCYKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-14-11-5-6-12(14)9-13(15,8-11)7-10(2)3/h10-12,15H,4-9H2,1-3H3.
What are the key properties of 8-ethyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-ethyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 211.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 67587815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).