3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane;ethane

C9H20N2 — CID 144525202

IUPAC3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane;ethane
SMILESCC.CN1CC2CN(C)C2C1
InChIInChI=1S/C7H14N2.C2H6/c1-8-3-6-4-9(2)7(6)5-8;1-2/h6-7H,3-5H2,1-2H3;1-2H3
InChIKeyZDFLGRFASUKZPO-UHFFFAOYSA-N
MW156.27 g/mol
LogP0.89
Rot. Bonds

About 3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane;ethane

3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane;ethane (PubChem CID 144525202) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane;ethane.

Molecular Properties

Compound Name3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane;ethane
PubChem CID144525202
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane;ethane
SMILESCC.CN1CC2CN(C)C2C1
InChIInChI=1S/C7H14N2.C2H6/c1-8-3-6-4-9(2)7(6)5-8;1-2/h6-7H,3-5H2,1-2H3;1-2H3
InChIKeyZDFLGRFASUKZPO-UHFFFAOYSA-N
XLogP0.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane;ethane?
The IUPAC name of 3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane;ethane (CID 144525202) is 3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane;ethane.
What is the SMILES notation for 3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane;ethane?
The canonical SMILES for 3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane;ethane is CC.CN1CC2CN(C)C2C1.
What is the InChIKey of 3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane;ethane?
The InChIKey is ZDFLGRFASUKZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.C2H6/c1-8-3-6-4-9(2)7(6)5-8;1-2/h6-7H,3-5H2,1-2H3;1-2H3.
What are the key properties of 3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane;ethane?
3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane;ethane has a molecular weight of 156.27 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane;ethane is sourced from PubChem (CID 144525202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).