3,6,6-trimethyl-1-azabicyclo[3.3.1]non-4-ene

C11H19N — CID 170130513

IUPAC3,6,6-trimethyl-1-azabicyclo[3.3.1]non-4-ene
SMILESCC1C=C2CN(CCC2(C)C)C1
InChIInChI=1S/C11H19N/c1-9-6-10-8-12(7-9)5-4-11(10,2)3/h6,9H,4-5,7-8H2,1-3H3
InChIKeyFWEZANKNBVJVQN-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.29
Rot. Bonds

About 3,6,6-trimethyl-1-azabicyclo[3.3.1]non-4-ene

3,6,6-trimethyl-1-azabicyclo[3.3.1]non-4-ene (PubChem CID 170130513) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 3,6,6-trimethyl-1-azabicyclo[3.3.1]non-4-ene.

Molecular Properties

Compound Name3,6,6-trimethyl-1-azabicyclo[3.3.1]non-4-ene
PubChem CID170130513
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name3,6,6-trimethyl-1-azabicyclo[3.3.1]non-4-ene
SMILESCC1C=C2CN(CCC2(C)C)C1
InChIInChI=1S/C11H19N/c1-9-6-10-8-12(7-9)5-4-11(10,2)3/h6,9H,4-5,7-8H2,1-3H3
InChIKeyFWEZANKNBVJVQN-UHFFFAOYSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-1-azabicyclo[3.3.1]non-4-ene?
The IUPAC name of 3,6,6-trimethyl-1-azabicyclo[3.3.1]non-4-ene (CID 170130513) is 3,6,6-trimethyl-1-azabicyclo[3.3.1]non-4-ene.
What is the SMILES notation for 3,6,6-trimethyl-1-azabicyclo[3.3.1]non-4-ene?
The canonical SMILES for 3,6,6-trimethyl-1-azabicyclo[3.3.1]non-4-ene is CC1C=C2CN(CCC2(C)C)C1.
What is the InChIKey of 3,6,6-trimethyl-1-azabicyclo[3.3.1]non-4-ene?
The InChIKey is FWEZANKNBVJVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-9-6-10-8-12(7-9)5-4-11(10,2)3/h6,9H,4-5,7-8H2,1-3H3.
What are the key properties of 3,6,6-trimethyl-1-azabicyclo[3.3.1]non-4-ene?
3,6,6-trimethyl-1-azabicyclo[3.3.1]non-4-ene has a molecular weight of 165.28 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-1-azabicyclo[3.3.1]non-4-ene is sourced from PubChem (CID 170130513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).