4,6,6,7-tetramethyl-1-azabicyclo[3.3.1]non-3-ene

C12H21N — CID 154573963

IUPAC4,6,6,7-tetramethyl-1-azabicyclo[3.3.1]non-3-ene
SMILESCC1=CCN2CC(C)C(C)(C)C1C2
InChIInChI=1S/C12H21N/c1-9-5-6-13-7-10(2)12(3,4)11(9)8-13/h5,10-11H,6-8H2,1-4H3
InChIKeyISFYEBOTKYHUEK-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.54
Rot. Bonds

About 4,6,6,7-tetramethyl-1-azabicyclo[3.3.1]non-3-ene

4,6,6,7-tetramethyl-1-azabicyclo[3.3.1]non-3-ene (PubChem CID 154573963) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 4,6,6,7-tetramethyl-1-azabicyclo[3.3.1]non-3-ene.

Molecular Properties

Compound Name4,6,6,7-tetramethyl-1-azabicyclo[3.3.1]non-3-ene
PubChem CID154573963
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name4,6,6,7-tetramethyl-1-azabicyclo[3.3.1]non-3-ene
SMILESCC1=CCN2CC(C)C(C)(C)C1C2
InChIInChI=1S/C12H21N/c1-9-5-6-13-7-10(2)12(3,4)11(9)8-13/h5,10-11H,6-8H2,1-4H3
InChIKeyISFYEBOTKYHUEK-UHFFFAOYSA-N
XLogP2.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-1-((2,4,6-trimethylcyclohex-3-en-1-yl)methyl)piperidin-1-ium iodide
CID 16189254
1-Methyl-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidinium
CID 3122280
(1S,5S)-2-methyl-2-azabicyclo[3.3.1]non-7-ene
CID 90677950
1-(3,7-Dimethyloct-6-en-1-yl)piperidine
CID 3592771
1-(4-Prop-1-en-2-ylcyclohex-2-en-1-yl)piperidine
CID 12485228
1-(6-Prop-1-en-2-ylcyclohex-2-en-1-yl)piperidine
CID 12485229
1-[(E)-2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]ethenyl]piperidine
CID 88423161
2-Methyl-11-methylidene-2-azaspiro[5.5]undeca-7,9-diene
CID 10725931
1-(4-tert-Butylcyclohex-1-en-1-yl)piperidine
CID 12620782
N-(3,6-dimethyl-2,7-octadienyl)piperidine
CID 86023805
1-(Chloromethyl)-4,6,6,7-tetramethyl-1-azabicyclo-[3.3.1]non-3-enium chloride
CID 154573995
1-(2-Cyclohex-3-en-1-ylpropyl)piperidine
CID 162416432

Frequently Asked Questions

What is the IUPAC name of 4,6,6,7-tetramethyl-1-azabicyclo[3.3.1]non-3-ene?
The IUPAC name of 4,6,6,7-tetramethyl-1-azabicyclo[3.3.1]non-3-ene (CID 154573963) is 4,6,6,7-tetramethyl-1-azabicyclo[3.3.1]non-3-ene.
What is the SMILES notation for 4,6,6,7-tetramethyl-1-azabicyclo[3.3.1]non-3-ene?
The canonical SMILES for 4,6,6,7-tetramethyl-1-azabicyclo[3.3.1]non-3-ene is CC1=CCN2CC(C)C(C)(C)C1C2.
What is the InChIKey of 4,6,6,7-tetramethyl-1-azabicyclo[3.3.1]non-3-ene?
The InChIKey is ISFYEBOTKYHUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-9-5-6-13-7-10(2)12(3,4)11(9)8-13/h5,10-11H,6-8H2,1-4H3.
What are the key properties of 4,6,6,7-tetramethyl-1-azabicyclo[3.3.1]non-3-ene?
4,6,6,7-tetramethyl-1-azabicyclo[3.3.1]non-3-ene has a molecular weight of 179.31 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6,7-tetramethyl-1-azabicyclo[3.3.1]non-3-ene is sourced from PubChem (CID 154573963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).