7,8-dimethyl-4-propan-2-yl-2-azabicyclo[4.1.1]octa-2,4-diene

C12H19N — CID 67519068

IUPAC7,8-dimethyl-4-propan-2-yl-2-azabicyclo[4.1.1]octa-2,4-diene
SMILESCC(C)C1=CC2C(C)C(N=C1)C2C
InChIInChI=1S/C12H19N/c1-7(2)10-5-11-8(3)12(9(11)4)13-6-10/h5-9,11-12H,1-4H3
InChIKeyCQLKLIFHYYDSSU-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.92
Rot. Bonds1

About 7,8-dimethyl-4-propan-2-yl-2-azabicyclo[4.1.1]octa-2,4-diene

7,8-dimethyl-4-propan-2-yl-2-azabicyclo[4.1.1]octa-2,4-diene (PubChem CID 67519068) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 7,8-dimethyl-4-propan-2-yl-2-azabicyclo[4.1.1]octa-2,4-diene.

Molecular Properties

Compound Name7,8-dimethyl-4-propan-2-yl-2-azabicyclo[4.1.1]octa-2,4-diene
PubChem CID67519068
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name7,8-dimethyl-4-propan-2-yl-2-azabicyclo[4.1.1]octa-2,4-diene
SMILESCC(C)C1=CC2C(C)C(N=C1)C2C
InChIInChI=1S/C12H19N/c1-7(2)10-5-11-8(3)12(9(11)4)13-6-10/h5-9,11-12H,1-4H3
InChIKeyCQLKLIFHYYDSSU-UHFFFAOYSA-N
XLogP2.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7,8-dimethyl-4-propan-2-yl-2-azabicyclo[4.1.1]octa-2,4-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-4-propan-2-yl-2-azabicyclo[4.1.1]octa-2,4-diene?
The IUPAC name of 7,8-dimethyl-4-propan-2-yl-2-azabicyclo[4.1.1]octa-2,4-diene (CID 67519068) is 7,8-dimethyl-4-propan-2-yl-2-azabicyclo[4.1.1]octa-2,4-diene.
What is the SMILES notation for 7,8-dimethyl-4-propan-2-yl-2-azabicyclo[4.1.1]octa-2,4-diene?
The canonical SMILES for 7,8-dimethyl-4-propan-2-yl-2-azabicyclo[4.1.1]octa-2,4-diene is CC(C)C1=CC2C(C)C(N=C1)C2C.
What is the InChIKey of 7,8-dimethyl-4-propan-2-yl-2-azabicyclo[4.1.1]octa-2,4-diene?
The InChIKey is CQLKLIFHYYDSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-7(2)10-5-11-8(3)12(9(11)4)13-6-10/h5-9,11-12H,1-4H3.
What are the key properties of 7,8-dimethyl-4-propan-2-yl-2-azabicyclo[4.1.1]octa-2,4-diene?
7,8-dimethyl-4-propan-2-yl-2-azabicyclo[4.1.1]octa-2,4-diene has a molecular weight of 177.29 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-4-propan-2-yl-2-azabicyclo[4.1.1]octa-2,4-diene is sourced from PubChem (CID 67519068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).