8-ethyl-3,8-diazabicyclo[3.2.1]octane

C8H16N2 — CID 21467295

IUPAC8-ethyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCN1C2CCC1CNC2
InChIInChI=1S/C8H16N2/c1-2-10-7-3-4-8(10)6-9-5-7/h7-9H,2-6H2,1H3
InChIKeyALGGPCBCKOVRKZ-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.44
Rot. Bonds1

About 8-ethyl-3,8-diazabicyclo[3.2.1]octane

8-ethyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 21467295) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 8-ethyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-ethyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID21467295
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name8-ethyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCN1C2CCC1CNC2
InChIInChI=1S/C8H16N2/c1-2-10-7-3-4-8(10)6-9-5-7/h7-9H,2-6H2,1H3
InChIKeyALGGPCBCKOVRKZ-UHFFFAOYSA-N
XLogP0.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-ethyl-3,8-diazabicyclo[3.2.1]octane 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-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-ethyl-3,8-diazabicyclo[3.2.1]octane (CID 21467295) is 8-ethyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-ethyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-ethyl-3,8-diazabicyclo[3.2.1]octane is CCN1C2CCC1CNC2.
What is the InChIKey of 8-ethyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is ALGGPCBCKOVRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-10-7-3-4-8(10)6-9-5-7/h7-9H,2-6H2,1H3.
What are the key properties of 8-ethyl-3,8-diazabicyclo[3.2.1]octane?
8-ethyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 140.23 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 21467295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).