3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane

C14H28N2 — CID 58721687

IUPAC3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)(C)N1CC2CCC(C1)N2C(C)(C)C
InChIInChI=1S/C14H28N2/c1-13(2,3)15-9-11-7-8-12(10-15)16(11)14(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyZJTQMGIDPFXGNC-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.73
Rot. Bonds

About 3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane

3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 58721687) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID58721687
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)(C)N1CC2CCC(C1)N2C(C)(C)C
InChIInChI=1S/C14H28N2/c1-13(2,3)15-9-11-7-8-12(10-15)16(11)14(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyZJTQMGIDPFXGNC-UHFFFAOYSA-N
XLogP2.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,8-ditert-butyl-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 3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane (CID 58721687) is 3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane is CC(C)(C)N1CC2CCC(C1)N2C(C)(C)C.
What is the InChIKey of 3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is ZJTQMGIDPFXGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-13(2,3)15-9-11-7-8-12(10-15)16(11)14(4,5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of 3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane?
3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 224.39 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 58721687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).