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

C15H19N — CID 134400164

IUPAC4,4,10,10-tetramethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene
SMILESCC1(C)C=CC2=C(C=C1)N=CC(C)(C)C=C2
InChIInChI=1S/C15H19N/c1-14(2)8-5-12-6-9-15(3,4)11-16-13(12)7-10-14/h5-11H,1-4H3
InChIKeyLIVBKZKTRDHLOH-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.06
Rot. Bonds

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

4,4,10,10-tetramethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene (PubChem CID 134400164) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 4,4,10,10-tetramethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene.

Molecular Properties

Compound Name4,4,10,10-tetramethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene
PubChem CID134400164
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name4,4,10,10-tetramethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene
SMILESCC1(C)C=CC2=C(C=C1)N=CC(C)(C)C=C2
InChIInChI=1S/C15H19N/c1-14(2)8-5-12-6-9-15(3,4)11-16-13(12)7-10-14/h5-11H,1-4H3
InChIKeyLIVBKZKTRDHLOH-UHFFFAOYSA-N
XLogP4.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,10,10-tetramethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene?
The IUPAC name of 4,4,10,10-tetramethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene (CID 134400164) is 4,4,10,10-tetramethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene.
What is the SMILES notation for 4,4,10,10-tetramethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene?
The canonical SMILES for 4,4,10,10-tetramethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene is CC1(C)C=CC2=C(C=C1)N=CC(C)(C)C=C2.
What is the InChIKey of 4,4,10,10-tetramethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene?
The InChIKey is LIVBKZKTRDHLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-14(2)8-5-12-6-9-15(3,4)11-16-13(12)7-10-14/h5-11H,1-4H3.
What are the key properties of 4,4,10,10-tetramethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene?
4,4,10,10-tetramethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene has a molecular weight of 213.32 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,10,10-tetramethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene is sourced from PubChem (CID 134400164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).