9-ethyl-9-azabicyclo[6.2.0]decane

C11H21N — CID 130693453

IUPAC9-ethyl-9-azabicyclo[6.2.0]decane
SMILESCCN1CC2CCCCCCC21
InChIInChI=1S/C11H21N/c1-2-12-9-10-7-5-3-4-6-8-11(10)12/h10-11H,2-9H2,1H3
InChIKeyKOCZNSIWNRKMBP-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.66
Rot. Bonds1

About 9-ethyl-9-azabicyclo[6.2.0]decane

9-ethyl-9-azabicyclo[6.2.0]decane (PubChem CID 130693453) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 9-ethyl-9-azabicyclo[6.2.0]decane.

Molecular Properties

Compound Name9-ethyl-9-azabicyclo[6.2.0]decane
PubChem CID130693453
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name9-ethyl-9-azabicyclo[6.2.0]decane
SMILESCCN1CC2CCCCCCC21
InChIInChI=1S/C11H21N/c1-2-12-9-10-7-5-3-4-6-8-11(10)12/h10-11H,2-9H2,1H3
InChIKeyKOCZNSIWNRKMBP-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-ethyl-9-azabicyclo[6.2.0]decane 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 9-ethyl-9-azabicyclo[6.2.0]decane?
The IUPAC name of 9-ethyl-9-azabicyclo[6.2.0]decane (CID 130693453) is 9-ethyl-9-azabicyclo[6.2.0]decane.
What is the SMILES notation for 9-ethyl-9-azabicyclo[6.2.0]decane?
The canonical SMILES for 9-ethyl-9-azabicyclo[6.2.0]decane is CCN1CC2CCCCCCC21.
What is the InChIKey of 9-ethyl-9-azabicyclo[6.2.0]decane?
The InChIKey is KOCZNSIWNRKMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-2-12-9-10-7-5-3-4-6-8-11(10)12/h10-11H,2-9H2,1H3.
What are the key properties of 9-ethyl-9-azabicyclo[6.2.0]decane?
9-ethyl-9-azabicyclo[6.2.0]decane has a molecular weight of 167.30 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-9-azabicyclo[6.2.0]decane is sourced from PubChem (CID 130693453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).