4,4,10,10-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene

C14H18N2 — CID 129267323

IUPAC4,4,10,10-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene
SMILESCC1(C)C=CC2=C(C=C1)N=CC(C)(C)C=N2
InChIInChI=1S/C14H18N2/c1-13(2)7-5-11-12(6-8-13)16-10-14(3,4)9-15-11/h5-10H,1-4H3
InChIKeyOXUBHRYVBAUZFD-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.53
Rot. Bonds

About 4,4,10,10-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene

4,4,10,10-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene (PubChem CID 129267323) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4,4,10,10-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene.

Molecular Properties

Compound Name4,4,10,10-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene
PubChem CID129267323
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4,4,10,10-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene
SMILESCC1(C)C=CC2=C(C=C1)N=CC(C)(C)C=N2
InChIInChI=1S/C14H18N2/c1-13(2)7-5-11-12(6-8-13)16-10-14(3,4)9-15-11/h5-10H,1-4H3
InChIKeyOXUBHRYVBAUZFD-UHFFFAOYSA-N
XLogP3.53
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,10,10-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene?
The IUPAC name of 4,4,10,10-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene (CID 129267323) is 4,4,10,10-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene.
What is the SMILES notation for 4,4,10,10-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene?
The canonical SMILES for 4,4,10,10-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene is CC1(C)C=CC2=C(C=C1)N=CC(C)(C)C=N2.
What is the InChIKey of 4,4,10,10-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene?
The InChIKey is OXUBHRYVBAUZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-13(2)7-5-11-12(6-8-13)16-10-14(3,4)9-15-11/h5-10H,1-4H3.
What are the key properties of 4,4,10,10-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene?
4,4,10,10-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene has a molecular weight of 214.31 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,10,10-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene is sourced from PubChem (CID 129267323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).