6,7-dimethyl-3,6-diazabicyclo[3.2.1]octane

C8H16N2 — CID 139403585

IUPAC6,7-dimethyl-3,6-diazabicyclo[3.2.1]octane
SMILESCC1C2CNCC(C2)N1C
InChIInChI=1S/C8H16N2/c1-6-7-3-8(10(6)2)5-9-4-7/h6-9H,3-5H2,1-2H3
InChIKeyFVMQXTOUYPBZAI-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.30
Rot. Bonds

About 6,7-dimethyl-3,6-diazabicyclo[3.2.1]octane

6,7-dimethyl-3,6-diazabicyclo[3.2.1]octane (PubChem CID 139403585) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 6,7-dimethyl-3,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6,7-dimethyl-3,6-diazabicyclo[3.2.1]octane
PubChem CID139403585
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name6,7-dimethyl-3,6-diazabicyclo[3.2.1]octane
SMILESCC1C2CNCC(C2)N1C
InChIInChI=1S/C8H16N2/c1-6-7-3-8(10(6)2)5-9-4-7/h6-9H,3-5H2,1-2H3
InChIKeyFVMQXTOUYPBZAI-UHFFFAOYSA-N
XLogP0.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,7-dimethyl-3,6-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 6,7-dimethyl-3,6-diazabicyclo[3.2.1]octane?
The IUPAC name of 6,7-dimethyl-3,6-diazabicyclo[3.2.1]octane (CID 139403585) is 6,7-dimethyl-3,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 6,7-dimethyl-3,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for 6,7-dimethyl-3,6-diazabicyclo[3.2.1]octane is CC1C2CNCC(C2)N1C.
What is the InChIKey of 6,7-dimethyl-3,6-diazabicyclo[3.2.1]octane?
The InChIKey is FVMQXTOUYPBZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-6-7-3-8(10(6)2)5-9-4-7/h6-9H,3-5H2,1-2H3.
What are the key properties of 6,7-dimethyl-3,6-diazabicyclo[3.2.1]octane?
6,7-dimethyl-3,6-diazabicyclo[3.2.1]octane has a molecular weight of 140.23 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-3,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 139403585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).