3,7,8-trimethyl-2-azabicyclo[4.1.1]octa-2,4-diene

C10H15N — CID 67561784

IUPAC3,7,8-trimethyl-2-azabicyclo[4.1.1]octa-2,4-diene
SMILESCC1=NC2C(C)C(C=C1)C2C
InChIInChI=1S/C10H15N/c1-6-4-5-9-7(2)10(11-6)8(9)3/h4-5,7-10H,1-3H3
InChIKeyVZWPYBFQLYONRD-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.29
Rot. Bonds

About 3,7,8-trimethyl-2-azabicyclo[4.1.1]octa-2,4-diene

3,7,8-trimethyl-2-azabicyclo[4.1.1]octa-2,4-diene (PubChem CID 67561784) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3,7,8-trimethyl-2-azabicyclo[4.1.1]octa-2,4-diene.

Molecular Properties

Compound Name3,7,8-trimethyl-2-azabicyclo[4.1.1]octa-2,4-diene
PubChem CID67561784
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3,7,8-trimethyl-2-azabicyclo[4.1.1]octa-2,4-diene
SMILESCC1=NC2C(C)C(C=C1)C2C
InChIInChI=1S/C10H15N/c1-6-4-5-9-7(2)10(11-6)8(9)3/h4-5,7-10H,1-3H3
InChIKeyVZWPYBFQLYONRD-UHFFFAOYSA-N
XLogP2.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,7,8-trimethyl-2-azabicyclo[4.1.1]octa-2,4-diene?
The IUPAC name of 3,7,8-trimethyl-2-azabicyclo[4.1.1]octa-2,4-diene (CID 67561784) is 3,7,8-trimethyl-2-azabicyclo[4.1.1]octa-2,4-diene.
What is the SMILES notation for 3,7,8-trimethyl-2-azabicyclo[4.1.1]octa-2,4-diene?
The canonical SMILES for 3,7,8-trimethyl-2-azabicyclo[4.1.1]octa-2,4-diene is CC1=NC2C(C)C(C=C1)C2C.
What is the InChIKey of 3,7,8-trimethyl-2-azabicyclo[4.1.1]octa-2,4-diene?
The InChIKey is VZWPYBFQLYONRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-6-4-5-9-7(2)10(11-6)8(9)3/h4-5,7-10H,1-3H3.
What are the key properties of 3,7,8-trimethyl-2-azabicyclo[4.1.1]octa-2,4-diene?
3,7,8-trimethyl-2-azabicyclo[4.1.1]octa-2,4-diene has a molecular weight of 149.24 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 3,7,8-trimethyl-2-azabicyclo[4.1.1]octa-2,4-diene is sourced from PubChem (CID 67561784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).