4,4,9-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5-triene

C14H21N — CID 163681988

IUPAC4,4,9-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5-triene
SMILESCC1CCCC2=C(C=CC(C)(C)C=N2)C1
InChIInChI=1S/C14H21N/c1-11-5-4-6-13-12(9-11)7-8-14(2,3)10-15-13/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyJLOZVKOPILXCHO-UHFFFAOYSA-N
MW203.33 g/mol
LogP4.12
Rot. Bonds

About 4,4,9-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5-triene

4,4,9-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5-triene (PubChem CID 163681988) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 4,4,9-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5-triene.

Molecular Properties

Compound Name4,4,9-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5-triene
PubChem CID163681988
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name4,4,9-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5-triene
SMILESCC1CCCC2=C(C=CC(C)(C)C=N2)C1
InChIInChI=1S/C14H21N/c1-11-5-4-6-13-12(9-11)7-8-14(2,3)10-15-13/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyJLOZVKOPILXCHO-UHFFFAOYSA-N
XLogP4.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-methylcycloheptan-1-one
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Frequently Asked Questions

What is the IUPAC name of 4,4,9-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5-triene?
The IUPAC name of 4,4,9-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5-triene (CID 163681988) is 4,4,9-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5-triene.
What is the SMILES notation for 4,4,9-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5-triene?
The canonical SMILES for 4,4,9-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5-triene is CC1CCCC2=C(C=CC(C)(C)C=N2)C1.
What is the InChIKey of 4,4,9-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5-triene?
The InChIKey is JLOZVKOPILXCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11-5-4-6-13-12(9-11)7-8-14(2,3)10-15-13/h7-8,10-11H,4-6,9H2,1-3H3.
What are the key properties of 4,4,9-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5-triene?
4,4,9-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5-triene has a molecular weight of 203.33 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,9-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),2,5-triene is sourced from PubChem (CID 163681988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).