10,10-dimethyl-4-azabicyclo[5.5.0]dodeca-1(7),8,11-triene

C13H19N — CID 139569197

IUPAC10,10-dimethyl-4-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
SMILESCC1(C)C=CC2=C(C=C1)CCNCC2
InChIInChI=1S/C13H19N/c1-13(2)7-3-11-5-9-14-10-6-12(11)4-8-13/h3-4,7-8,14H,5-6,9-10H2,1-2H3
InChIKeyUAUIOFYCVMFMBD-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.82
Rot. Bonds

About 10,10-dimethyl-4-azabicyclo[5.5.0]dodeca-1(7),8,11-triene

10,10-dimethyl-4-azabicyclo[5.5.0]dodeca-1(7),8,11-triene (PubChem CID 139569197) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 10,10-dimethyl-4-azabicyclo[5.5.0]dodeca-1(7),8,11-triene.

Molecular Properties

Compound Name10,10-dimethyl-4-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
PubChem CID139569197
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name10,10-dimethyl-4-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
SMILESCC1(C)C=CC2=C(C=C1)CCNCC2
InChIInChI=1S/C13H19N/c1-13(2)7-3-11-5-9-14-10-6-12(11)4-8-13/h3-4,7-8,14H,5-6,9-10H2,1-2H3
InChIKeyUAUIOFYCVMFMBD-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-4-azabicyclo[5.5.0]dodeca-1(7),8,11-triene?
The IUPAC name of 10,10-dimethyl-4-azabicyclo[5.5.0]dodeca-1(7),8,11-triene (CID 139569197) is 10,10-dimethyl-4-azabicyclo[5.5.0]dodeca-1(7),8,11-triene.
What is the SMILES notation for 10,10-dimethyl-4-azabicyclo[5.5.0]dodeca-1(7),8,11-triene?
The canonical SMILES for 10,10-dimethyl-4-azabicyclo[5.5.0]dodeca-1(7),8,11-triene is CC1(C)C=CC2=C(C=C1)CCNCC2.
What is the InChIKey of 10,10-dimethyl-4-azabicyclo[5.5.0]dodeca-1(7),8,11-triene?
The InChIKey is UAUIOFYCVMFMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-13(2)7-3-11-5-9-14-10-6-12(11)4-8-13/h3-4,7-8,14H,5-6,9-10H2,1-2H3.
What are the key properties of 10,10-dimethyl-4-azabicyclo[5.5.0]dodeca-1(7),8,11-triene?
10,10-dimethyl-4-azabicyclo[5.5.0]dodeca-1(7),8,11-triene has a molecular weight of 189.30 g/mol, XLogP of 2.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-4-azabicyclo[5.5.0]dodeca-1(7),8,11-triene is sourced from PubChem (CID 139569197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).