3,6,8-trimethyl-7-azabicyclo[4.3.1]deca-1,3,7-triene

C12H17N — CID 90972017

IUPAC3,6,8-trimethyl-7-azabicyclo[4.3.1]deca-1,3,7-triene
SMILESCC1=CCC2(C)CC(=C1)CC(C)=N2
InChIInChI=1S/C12H17N/c1-9-4-5-12(3)8-11(6-9)7-10(2)13-12/h4,6H,5,7-8H2,1-3H3
InChIKeyXZEWMJQHORKHSH-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.28
Rot. Bonds

About 3,6,8-trimethyl-7-azabicyclo[4.3.1]deca-1,3,7-triene

3,6,8-trimethyl-7-azabicyclo[4.3.1]deca-1,3,7-triene (PubChem CID 90972017) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 3,6,8-trimethyl-7-azabicyclo[4.3.1]deca-1,3,7-triene.

Molecular Properties

Compound Name3,6,8-trimethyl-7-azabicyclo[4.3.1]deca-1,3,7-triene
PubChem CID90972017
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name3,6,8-trimethyl-7-azabicyclo[4.3.1]deca-1,3,7-triene
SMILESCC1=CCC2(C)CC(=C1)CC(C)=N2
InChIInChI=1S/C12H17N/c1-9-4-5-12(3)8-11(6-9)7-10(2)13-12/h4,6H,5,7-8H2,1-3H3
InChIKeyXZEWMJQHORKHSH-UHFFFAOYSA-N
XLogP3.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,6,8-trimethyl-7-azabicyclo[4.3.1]deca-1,3,7-triene?
The IUPAC name of 3,6,8-trimethyl-7-azabicyclo[4.3.1]deca-1,3,7-triene (CID 90972017) is 3,6,8-trimethyl-7-azabicyclo[4.3.1]deca-1,3,7-triene.
What is the SMILES notation for 3,6,8-trimethyl-7-azabicyclo[4.3.1]deca-1,3,7-triene?
The canonical SMILES for 3,6,8-trimethyl-7-azabicyclo[4.3.1]deca-1,3,7-triene is CC1=CCC2(C)CC(=C1)CC(C)=N2.
What is the InChIKey of 3,6,8-trimethyl-7-azabicyclo[4.3.1]deca-1,3,7-triene?
The InChIKey is XZEWMJQHORKHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9-4-5-12(3)8-11(6-9)7-10(2)13-12/h4,6H,5,7-8H2,1-3H3.
What are the key properties of 3,6,8-trimethyl-7-azabicyclo[4.3.1]deca-1,3,7-triene?
3,6,8-trimethyl-7-azabicyclo[4.3.1]deca-1,3,7-triene has a molecular weight of 175.27 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,8-trimethyl-7-azabicyclo[4.3.1]deca-1,3,7-triene is sourced from PubChem (CID 90972017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).