11-ethyl-13-methyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene

C15H22N2 — CID 59712101

IUPAC11-ethyl-13-methyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
SMILESCCN1CC2Cc3ccccc3CC1CN2C
InChIInChI=1S/C15H22N2/c1-3-17-11-14-8-12-6-4-5-7-13(12)9-15(17)10-16(14)2/h4-7,14-15H,3,8-11H2,1-2H3
InChIKeyGNWBGKIGGMKPQE-UHFFFAOYSA-N
MW230.36 g/mol
LogP1.79
Rot. Bonds1

About 11-ethyl-13-methyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene

11-ethyl-13-methyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene (PubChem CID 59712101) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 11-ethyl-13-methyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene.

Molecular Properties

Compound Name11-ethyl-13-methyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
PubChem CID59712101
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name11-ethyl-13-methyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
SMILESCCN1CC2Cc3ccccc3CC1CN2C
InChIInChI=1S/C15H22N2/c1-3-17-11-14-8-12-6-4-5-7-13(12)9-15(17)10-16(14)2/h4-7,14-15H,3,8-11H2,1-2H3
InChIKeyGNWBGKIGGMKPQE-UHFFFAOYSA-N
XLogP1.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-ethyl-13-methyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
The IUPAC name of 11-ethyl-13-methyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene (CID 59712101) is 11-ethyl-13-methyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene.
What is the SMILES notation for 11-ethyl-13-methyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
The canonical SMILES for 11-ethyl-13-methyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene is CCN1CC2Cc3ccccc3CC1CN2C.
What is the InChIKey of 11-ethyl-13-methyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
The InChIKey is GNWBGKIGGMKPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-3-17-11-14-8-12-6-4-5-7-13(12)9-15(17)10-16(14)2/h4-7,14-15H,3,8-11H2,1-2H3.
What are the key properties of 11-ethyl-13-methyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
11-ethyl-13-methyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene has a molecular weight of 230.36 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethyl-13-methyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene is sourced from PubChem (CID 59712101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).