3,4,8,9-tetramethyl-7,9-diazabicyclo[4.3.1]deca-1(10),2,4,6(10),7-pentaene

C12H14N2 — CID 54528064

IUPAC3,4,8,9-tetramethyl-7,9-diazabicyclo[4.3.1]deca-1(10),2,4,6(10),7-pentaene
SMILESCC1=CC2=C=C(C=C1C)N(C)C(C)=N2
InChIInChI=1S/C12H14N2/c1-8-5-11-7-12(6-9(8)2)14(4)10(3)13-11/h5-6H,1-4H3
InChIKeyYUNCZQQEYPGPFB-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.62
Rot. Bonds

About 3,4,8,9-tetramethyl-7,9-diazabicyclo[4.3.1]deca-1(10),2,4,6(10),7-pentaene

3,4,8,9-tetramethyl-7,9-diazabicyclo[4.3.1]deca-1(10),2,4,6(10),7-pentaene (PubChem CID 54528064) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 3,4,8,9-tetramethyl-7,9-diazabicyclo[4.3.1]deca-1(10),2,4,6(10),7-pentaene.

Molecular Properties

Compound Name3,4,8,9-tetramethyl-7,9-diazabicyclo[4.3.1]deca-1(10),2,4,6(10),7-pentaene
PubChem CID54528064
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name3,4,8,9-tetramethyl-7,9-diazabicyclo[4.3.1]deca-1(10),2,4,6(10),7-pentaene
SMILESCC1=CC2=C=C(C=C1C)N(C)C(C)=N2
InChIInChI=1S/C12H14N2/c1-8-5-11-7-12(6-9(8)2)14(4)10(3)13-11/h5-6H,1-4H3
InChIKeyYUNCZQQEYPGPFB-UHFFFAOYSA-N
XLogP2.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,8,9-tetramethyl-7,9-diazabicyclo[4.3.1]deca-1(10),2,4,6(10),7-pentaene?
The IUPAC name of 3,4,8,9-tetramethyl-7,9-diazabicyclo[4.3.1]deca-1(10),2,4,6(10),7-pentaene (CID 54528064) is 3,4,8,9-tetramethyl-7,9-diazabicyclo[4.3.1]deca-1(10),2,4,6(10),7-pentaene.
What is the SMILES notation for 3,4,8,9-tetramethyl-7,9-diazabicyclo[4.3.1]deca-1(10),2,4,6(10),7-pentaene?
The canonical SMILES for 3,4,8,9-tetramethyl-7,9-diazabicyclo[4.3.1]deca-1(10),2,4,6(10),7-pentaene is CC1=CC2=C=C(C=C1C)N(C)C(C)=N2.
What is the InChIKey of 3,4,8,9-tetramethyl-7,9-diazabicyclo[4.3.1]deca-1(10),2,4,6(10),7-pentaene?
The InChIKey is YUNCZQQEYPGPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-8-5-11-7-12(6-9(8)2)14(4)10(3)13-11/h5-6H,1-4H3.
What are the key properties of 3,4,8,9-tetramethyl-7,9-diazabicyclo[4.3.1]deca-1(10),2,4,6(10),7-pentaene?
3,4,8,9-tetramethyl-7,9-diazabicyclo[4.3.1]deca-1(10),2,4,6(10),7-pentaene has a molecular weight of 186.26 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,8,9-tetramethyl-7,9-diazabicyclo[4.3.1]deca-1(10),2,4,6(10),7-pentaene is sourced from PubChem (CID 54528064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).