3,3,5,9-tetramethyl-7-azabicyclo[4.3.1]deca-1(9),7-diene

C13H21N — CID 166676120

IUPAC3,3,5,9-tetramethyl-7-azabicyclo[4.3.1]deca-1(9),7-diene
SMILESCC1=C2CC(N=C1)C(C)CC(C)(C)C2
InChIInChI=1S/C13H21N/c1-9-6-13(3,4)7-11-5-12(9)14-8-10(11)2/h8-9,12H,5-7H2,1-4H3
InChIKeyNJKATRISMAZUEB-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.60
Rot. Bonds

About 3,3,5,9-tetramethyl-7-azabicyclo[4.3.1]deca-1(9),7-diene

3,3,5,9-tetramethyl-7-azabicyclo[4.3.1]deca-1(9),7-diene (PubChem CID 166676120) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 3,3,5,9-tetramethyl-7-azabicyclo[4.3.1]deca-1(9),7-diene.

Molecular Properties

Compound Name3,3,5,9-tetramethyl-7-azabicyclo[4.3.1]deca-1(9),7-diene
PubChem CID166676120
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name3,3,5,9-tetramethyl-7-azabicyclo[4.3.1]deca-1(9),7-diene
SMILESCC1=C2CC(N=C1)C(C)CC(C)(C)C2
InChIInChI=1S/C13H21N/c1-9-6-13(3,4)7-11-5-12(9)14-8-10(11)2/h8-9,12H,5-7H2,1-4H3
InChIKeyNJKATRISMAZUEB-UHFFFAOYSA-N
XLogP3.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,9-tetramethyl-7-azabicyclo[4.3.1]deca-1(9),7-diene?
The IUPAC name of 3,3,5,9-tetramethyl-7-azabicyclo[4.3.1]deca-1(9),7-diene (CID 166676120) is 3,3,5,9-tetramethyl-7-azabicyclo[4.3.1]deca-1(9),7-diene.
What is the SMILES notation for 3,3,5,9-tetramethyl-7-azabicyclo[4.3.1]deca-1(9),7-diene?
The canonical SMILES for 3,3,5,9-tetramethyl-7-azabicyclo[4.3.1]deca-1(9),7-diene is CC1=C2CC(N=C1)C(C)CC(C)(C)C2.
What is the InChIKey of 3,3,5,9-tetramethyl-7-azabicyclo[4.3.1]deca-1(9),7-diene?
The InChIKey is NJKATRISMAZUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-9-6-13(3,4)7-11-5-12(9)14-8-10(11)2/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 3,3,5,9-tetramethyl-7-azabicyclo[4.3.1]deca-1(9),7-diene?
3,3,5,9-tetramethyl-7-azabicyclo[4.3.1]deca-1(9),7-diene has a molecular weight of 191.32 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,9-tetramethyl-7-azabicyclo[4.3.1]deca-1(9),7-diene is sourced from PubChem (CID 166676120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).