2-ethyl-8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene

C15H16N2O — CID 607616

IUPAC2-ethyl-8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene
SMILESCCN1N=C(C)c2ccc(OC)c3cccc1c23
InChIInChI=1S/C15H16N2O/c1-4-17-13-7-5-6-12-14(18-3)9-8-11(15(12)13)10(2)16-17/h5-9H,4H2,1-3H3
InChIKeySETXZYWAYSWZNE-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.41
Rot. Bonds2

About 2-ethyl-8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene

2-ethyl-8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene (PubChem CID 607616) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-ethyl-8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene.

Molecular Properties

Compound Name2-ethyl-8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene
PubChem CID607616
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-ethyl-8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene
SMILESCCN1N=C(C)c2ccc(OC)c3cccc1c23
InChIInChI=1S/C15H16N2O/c1-4-17-13-7-5-6-12-14(18-3)9-8-11(15(12)13)10(2)16-17/h5-9H,4H2,1-3H3
InChIKeySETXZYWAYSWZNE-UHFFFAOYSA-N
XLogP3.41
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene?
The IUPAC name of 2-ethyl-8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene (CID 607616) is 2-ethyl-8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene.
What is the SMILES notation for 2-ethyl-8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene?
The canonical SMILES for 2-ethyl-8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene is CCN1N=C(C)c2ccc(OC)c3cccc1c23.
What is the InChIKey of 2-ethyl-8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene?
The InChIKey is SETXZYWAYSWZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-4-17-13-7-5-6-12-14(18-3)9-8-11(15(12)13)10(2)16-17/h5-9H,4H2,1-3H3.
What are the key properties of 2-ethyl-8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene?
2-ethyl-8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene has a molecular weight of 240.31 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene is sourced from PubChem (CID 607616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).