3,10-dimethyl-2,10-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene;ethane

C13H20N2 — CID 143632813

IUPAC3,10-dimethyl-2,10-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene;ethane
SMILESCC.CC1=NC2=C(C=C=C1)CCN(C)C2
InChIInChI=1S/C11H14N2.C2H6/c1-9-4-3-5-10-6-7-13(2)8-11(10)12-9;1-2/h4-5H,6-8H2,1-2H3;1-2H3
InChIKeySJBDROXRYZWRJG-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.79
Rot. Bonds

About 3,10-dimethyl-2,10-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene;ethane

3,10-dimethyl-2,10-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene;ethane (PubChem CID 143632813) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3,10-dimethyl-2,10-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene;ethane.

Molecular Properties

Compound Name3,10-dimethyl-2,10-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene;ethane
PubChem CID143632813
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3,10-dimethyl-2,10-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene;ethane
SMILESCC.CC1=NC2=C(C=C=C1)CCN(C)C2
InChIInChI=1S/C11H14N2.C2H6/c1-9-4-3-5-10-6-7-13(2)8-11(10)12-9;1-2/h4-5H,6-8H2,1-2H3;1-2H3
InChIKeySJBDROXRYZWRJG-UHFFFAOYSA-N
XLogP2.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,10-dimethyl-2,10-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene;ethane?
The IUPAC name of 3,10-dimethyl-2,10-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene;ethane (CID 143632813) is 3,10-dimethyl-2,10-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene;ethane.
What is the SMILES notation for 3,10-dimethyl-2,10-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene;ethane?
The canonical SMILES for 3,10-dimethyl-2,10-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene;ethane is CC.CC1=NC2=C(C=C=C1)CCN(C)C2.
What is the InChIKey of 3,10-dimethyl-2,10-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene;ethane?
The InChIKey is SJBDROXRYZWRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C2H6/c1-9-4-3-5-10-6-7-13(2)8-11(10)12-9;1-2/h4-5H,6-8H2,1-2H3;1-2H3.
What are the key properties of 3,10-dimethyl-2,10-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene;ethane?
3,10-dimethyl-2,10-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene;ethane has a molecular weight of 204.32 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-dimethyl-2,10-diazabicyclo[5.4.0]undeca-1(7),2,4,5-tetraene;ethane is sourced from PubChem (CID 143632813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).