4-azabicyclo[6.6.0]tetradeca-1(14),8,11-triene

C13H19N — CID 90878388

IUPAC4-azabicyclo[6.6.0]tetradeca-1(14),8,11-triene
SMILESC1=CCC=C2CCNCCCC2=CC1
InChIInChI=1S/C13H19N/c1-2-4-7-13-9-11-14-10-5-8-12(13)6-3-1/h1-2,6-7,14H,3-5,8-11H2
InChIKeyBTSDZGYTGZJUFW-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.96
Rot. Bonds

About 4-azabicyclo[6.6.0]tetradeca-1(14),8,11-triene

4-azabicyclo[6.6.0]tetradeca-1(14),8,11-triene (PubChem CID 90878388) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-azabicyclo[6.6.0]tetradeca-1(14),8,11-triene.

Molecular Properties

Compound Name4-azabicyclo[6.6.0]tetradeca-1(14),8,11-triene
PubChem CID90878388
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name4-azabicyclo[6.6.0]tetradeca-1(14),8,11-triene
SMILESC1=CCC=C2CCNCCCC2=CC1
InChIInChI=1S/C13H19N/c1-2-4-7-13-9-11-14-10-5-8-12(13)6-3-1/h1-2,6-7,14H,3-5,8-11H2
InChIKeyBTSDZGYTGZJUFW-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-azabicyclo[6.6.0]tetradeca-1(14),8,11-triene?
The IUPAC name of 4-azabicyclo[6.6.0]tetradeca-1(14),8,11-triene (CID 90878388) is 4-azabicyclo[6.6.0]tetradeca-1(14),8,11-triene.
What is the SMILES notation for 4-azabicyclo[6.6.0]tetradeca-1(14),8,11-triene?
The canonical SMILES for 4-azabicyclo[6.6.0]tetradeca-1(14),8,11-triene is C1=CCC=C2CCNCCCC2=CC1.
What is the InChIKey of 4-azabicyclo[6.6.0]tetradeca-1(14),8,11-triene?
The InChIKey is BTSDZGYTGZJUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-2-4-7-13-9-11-14-10-5-8-12(13)6-3-1/h1-2,6-7,14H,3-5,8-11H2.
What are the key properties of 4-azabicyclo[6.6.0]tetradeca-1(14),8,11-triene?
4-azabicyclo[6.6.0]tetradeca-1(14),8,11-triene has a molecular weight of 189.30 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azabicyclo[6.6.0]tetradeca-1(14),8,11-triene is sourced from PubChem (CID 90878388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).