6-tert-butyl-3,6-diazabicyclo[3.2.0]heptane

C9H18N2 — CID 58522457

IUPAC6-tert-butyl-3,6-diazabicyclo[3.2.0]heptane
SMILESCC(C)(C)N1CC2CNCC21
InChIInChI=1S/C9H18N2/c1-9(2,3)11-6-7-4-10-5-8(7)11/h7-8,10H,4-6H2,1-3H3
InChIKeySSUDMCVGSZFYRF-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.69
Rot. Bonds

About 6-tert-butyl-3,6-diazabicyclo[3.2.0]heptane

6-tert-butyl-3,6-diazabicyclo[3.2.0]heptane (PubChem CID 58522457) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 6-tert-butyl-3,6-diazabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name6-tert-butyl-3,6-diazabicyclo[3.2.0]heptane
PubChem CID58522457
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name6-tert-butyl-3,6-diazabicyclo[3.2.0]heptane
SMILESCC(C)(C)N1CC2CNCC21
InChIInChI=1S/C9H18N2/c1-9(2,3)11-6-7-4-10-5-8(7)11/h7-8,10H,4-6H2,1-3H3
InChIKeySSUDMCVGSZFYRF-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3,6-diazabicyclo[3.2.0]heptane?
The IUPAC name of 6-tert-butyl-3,6-diazabicyclo[3.2.0]heptane (CID 58522457) is 6-tert-butyl-3,6-diazabicyclo[3.2.0]heptane.
What is the SMILES notation for 6-tert-butyl-3,6-diazabicyclo[3.2.0]heptane?
The canonical SMILES for 6-tert-butyl-3,6-diazabicyclo[3.2.0]heptane is CC(C)(C)N1CC2CNCC21.
What is the InChIKey of 6-tert-butyl-3,6-diazabicyclo[3.2.0]heptane?
The InChIKey is SSUDMCVGSZFYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-9(2,3)11-6-7-4-10-5-8(7)11/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 6-tert-butyl-3,6-diazabicyclo[3.2.0]heptane?
6-tert-butyl-3,6-diazabicyclo[3.2.0]heptane has a molecular weight of 154.26 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3,6-diazabicyclo[3.2.0]heptane is sourced from PubChem (CID 58522457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).