2,6-dioxabicyclo[6.5.0]trideca-1(8),10,12-trien-11-amine

C11H15NO2 — CID 138711395

IUPAC2,6-dioxabicyclo[6.5.0]trideca-1(8),10,12-trien-11-amine
SMILESNC1=CCC2=C(C=C1)OCCCOC2
InChIInChI=1S/C11H15NO2/c12-10-3-2-9-8-13-6-1-7-14-11(9)5-4-10/h3-5H,1-2,6-8,12H2
InChIKeyPAMXSGFFXZNXJH-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.48
Rot. Bonds

About 2,6-dioxabicyclo[6.5.0]trideca-1(8),10,12-trien-11-amine

2,6-dioxabicyclo[6.5.0]trideca-1(8),10,12-trien-11-amine (PubChem CID 138711395) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2,6-dioxabicyclo[6.5.0]trideca-1(8),10,12-trien-11-amine.

Molecular Properties

Compound Name2,6-dioxabicyclo[6.5.0]trideca-1(8),10,12-trien-11-amine
PubChem CID138711395
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2,6-dioxabicyclo[6.5.0]trideca-1(8),10,12-trien-11-amine
SMILESNC1=CCC2=C(C=C1)OCCCOC2
InChIInChI=1S/C11H15NO2/c12-10-3-2-9-8-13-6-1-7-14-11(9)5-4-10/h3-5H,1-2,6-8,12H2
InChIKeyPAMXSGFFXZNXJH-UHFFFAOYSA-N
XLogP1.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dioxabicyclo[6.5.0]trideca-1(8),10,12-trien-11-amine?
The IUPAC name of 2,6-dioxabicyclo[6.5.0]trideca-1(8),10,12-trien-11-amine (CID 138711395) is 2,6-dioxabicyclo[6.5.0]trideca-1(8),10,12-trien-11-amine.
What is the SMILES notation for 2,6-dioxabicyclo[6.5.0]trideca-1(8),10,12-trien-11-amine?
The canonical SMILES for 2,6-dioxabicyclo[6.5.0]trideca-1(8),10,12-trien-11-amine is NC1=CCC2=C(C=C1)OCCCOC2.
What is the InChIKey of 2,6-dioxabicyclo[6.5.0]trideca-1(8),10,12-trien-11-amine?
The InChIKey is PAMXSGFFXZNXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c12-10-3-2-9-8-13-6-1-7-14-11(9)5-4-10/h3-5H,1-2,6-8,12H2.
What are the key properties of 2,6-dioxabicyclo[6.5.0]trideca-1(8),10,12-trien-11-amine?
2,6-dioxabicyclo[6.5.0]trideca-1(8),10,12-trien-11-amine has a molecular weight of 193.25 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxabicyclo[6.5.0]trideca-1(8),10,12-trien-11-amine is sourced from PubChem (CID 138711395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).