5,6-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3-diene

C13H19N — CID 89126392

IUPAC5,6-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3-diene
SMILESCC1C=CC2=C(C3CNCC2C3)C1C
InChIInChI=1S/C13H19N/c1-8-3-4-12-10-5-11(7-14-6-10)13(12)9(8)2/h3-4,8-11,14H,5-7H2,1-2H3
InChIKeyQOTFEPUFUQFZIF-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.36
Rot. Bonds

About 5,6-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3-diene

5,6-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3-diene (PubChem CID 89126392) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 5,6-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3-diene.

Molecular Properties

Compound Name5,6-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3-diene
PubChem CID89126392
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name5,6-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3-diene
SMILESCC1C=CC2=C(C3CNCC2C3)C1C
InChIInChI=1S/C13H19N/c1-8-3-4-12-10-5-11(7-14-6-10)13(12)9(8)2/h3-4,8-11,14H,5-7H2,1-2H3
InChIKeyQOTFEPUFUQFZIF-UHFFFAOYSA-N
XLogP2.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3-diene?
The IUPAC name of 5,6-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3-diene (CID 89126392) is 5,6-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3-diene.
What is the SMILES notation for 5,6-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3-diene?
The canonical SMILES for 5,6-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3-diene is CC1C=CC2=C(C3CNCC2C3)C1C.
What is the InChIKey of 5,6-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3-diene?
The InChIKey is QOTFEPUFUQFZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-8-3-4-12-10-5-11(7-14-6-10)13(12)9(8)2/h3-4,8-11,14H,5-7H2,1-2H3.
What are the key properties of 5,6-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3-diene?
5,6-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3-diene has a molecular weight of 189.30 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3-diene is sourced from PubChem (CID 89126392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).