3,3,11,11-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1,6,8-triene

C14H22N2 — CID 90959897

IUPAC3,3,11,11-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1,6,8-triene
SMILESCC1(C)CC=CC2=NCCC(C)(C)N=C2C1
InChIInChI=1S/C14H22N2/c1-13(2)7-5-6-11-12(10-13)16-14(3,4)8-9-15-11/h5-6H,7-10H2,1-4H3
InChIKeyQYFDLCPAFVYFAL-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.43
Rot. Bonds

About 3,3,11,11-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1,6,8-triene

3,3,11,11-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1,6,8-triene (PubChem CID 90959897) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3,3,11,11-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1,6,8-triene.

Molecular Properties

Compound Name3,3,11,11-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1,6,8-triene
PubChem CID90959897
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3,3,11,11-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1,6,8-triene
SMILESCC1(C)CC=CC2=NCCC(C)(C)N=C2C1
InChIInChI=1S/C14H22N2/c1-13(2)7-5-6-11-12(10-13)16-14(3,4)8-9-15-11/h5-6H,7-10H2,1-4H3
InChIKeyQYFDLCPAFVYFAL-UHFFFAOYSA-N
XLogP3.43
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,6-dimethyl-2-N-(3-methylbutyl)cyclohept-3-ene-1,2-diimine
CID 90748347
7-tert-butyl-4-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine
CID 90924955
5-ethyl-7-methyl-N-pentylcyclohept-2-en-1-imine
CID 123403001
6-[(4R)-2,4-dimethylhexan-2-yl]-2,3-dihydropyridine
CID 145217686
(Z)-N,5,5,7,7-pentamethylnon-2-en-4-imine
CID 166088745

Frequently Asked Questions

What is the IUPAC name of 3,3,11,11-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1,6,8-triene?
The IUPAC name of 3,3,11,11-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1,6,8-triene (CID 90959897) is 3,3,11,11-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1,6,8-triene.
What is the SMILES notation for 3,3,11,11-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1,6,8-triene?
The canonical SMILES for 3,3,11,11-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1,6,8-triene is CC1(C)CC=CC2=NCCC(C)(C)N=C2C1.
What is the InChIKey of 3,3,11,11-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1,6,8-triene?
The InChIKey is QYFDLCPAFVYFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-13(2)7-5-6-11-12(10-13)16-14(3,4)8-9-15-11/h5-6H,7-10H2,1-4H3.
What are the key properties of 3,3,11,11-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1,6,8-triene?
3,3,11,11-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1,6,8-triene has a molecular weight of 218.34 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,11,11-tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1,6,8-triene is sourced from PubChem (CID 90959897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).