4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-amine

C11H14N2O — CID 82372259

IUPAC4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-amine
SMILESNC1CCN2CCOc3cccc1c32
InChIInChI=1S/C11H14N2O/c12-9-4-5-13-6-7-14-10-3-1-2-8(9)11(10)13/h1-3,9H,4-7,12H2
InChIKeyNSCBOMTYTOICKU-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.29
Rot. Bonds

About 4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-amine

4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-amine (PubChem CID 82372259) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-amine.

Molecular Properties

Compound Name4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-amine
PubChem CID82372259
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-amine
SMILESNC1CCN2CCOc3cccc1c32
InChIInChI=1S/C11H14N2O/c12-9-4-5-13-6-7-14-10-3-1-2-8(9)11(10)13/h1-3,9H,4-7,12H2
InChIKeyNSCBOMTYTOICKU-UHFFFAOYSA-N
XLogP1.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-amine?
The IUPAC name of 4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-amine (CID 82372259) is 4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-amine.
What is the SMILES notation for 4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-amine?
The canonical SMILES for 4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-amine is NC1CCN2CCOc3cccc1c32.
What is the InChIKey of 4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-amine?
The InChIKey is NSCBOMTYTOICKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c12-9-4-5-13-6-7-14-10-3-1-2-8(9)11(10)13/h1-3,9H,4-7,12H2.
What are the key properties of 4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-amine?
4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-amine has a molecular weight of 190.25 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-amine is sourced from PubChem (CID 82372259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).