9-ethyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine

C14H19NO — CID 20552124

IUPAC9-ethyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine
SMILESCCC12CC(N)CC(C1)c1ccccc1O2
InChIInChI=1S/C14H19NO/c1-2-14-8-10(7-11(15)9-14)12-5-3-4-6-13(12)16-14/h3-6,10-11H,2,7-9,15H2,1H3
InChIKeyHHNAIULYFMMRSJ-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.82
Rot. Bonds1

About 9-ethyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine

9-ethyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine (PubChem CID 20552124) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 9-ethyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine.

Molecular Properties

Compound Name9-ethyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine
PubChem CID20552124
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name9-ethyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine
SMILESCCC12CC(N)CC(C1)c1ccccc1O2
InChIInChI=1S/C14H19NO/c1-2-14-8-10(7-11(15)9-14)12-5-3-4-6-13(12)16-14/h3-6,10-11H,2,7-9,15H2,1H3
InChIKeyHHNAIULYFMMRSJ-UHFFFAOYSA-N
XLogP2.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine?
The IUPAC name of 9-ethyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine (CID 20552124) is 9-ethyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine.
What is the SMILES notation for 9-ethyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine?
The canonical SMILES for 9-ethyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine is CCC12CC(N)CC(C1)c1ccccc1O2.
What is the InChIKey of 9-ethyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine?
The InChIKey is HHNAIULYFMMRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-14-8-10(7-11(15)9-14)12-5-3-4-6-13(12)16-14/h3-6,10-11H,2,7-9,15H2,1H3.
What are the key properties of 9-ethyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine?
9-ethyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine has a molecular weight of 217.31 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine is sourced from PubChem (CID 20552124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).