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

C14H20N2 — CID 59712102

IUPAC11,13-dimethyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
SMILESCN1CC2Cc3ccccc3CC1CN2C
InChIInChI=1S/C14H20N2/c1-15-9-14-8-12-6-4-3-5-11(12)7-13(15)10-16(14)2/h3-6,13-14H,7-10H2,1-2H3
InChIKeyNFRWTIWMERZYHV-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.40
Rot. Bonds

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

11,13-dimethyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene (PubChem CID 59712102) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 11,13-dimethyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene.

Molecular Properties

Compound Name11,13-dimethyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
PubChem CID59712102
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name11,13-dimethyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
SMILESCN1CC2Cc3ccccc3CC1CN2C
InChIInChI=1S/C14H20N2/c1-15-9-14-8-12-6-4-3-5-11(12)7-13(15)10-16(14)2/h3-6,13-14H,7-10H2,1-2H3
InChIKeyNFRWTIWMERZYHV-UHFFFAOYSA-N
XLogP1.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11,13-dimethyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
The IUPAC name of 11,13-dimethyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene (CID 59712102) is 11,13-dimethyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene.
What is the SMILES notation for 11,13-dimethyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
The canonical SMILES for 11,13-dimethyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene is CN1CC2Cc3ccccc3CC1CN2C.
What is the InChIKey of 11,13-dimethyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
The InChIKey is NFRWTIWMERZYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-15-9-14-8-12-6-4-3-5-11(12)7-13(15)10-16(14)2/h3-6,13-14H,7-10H2,1-2H3.
What are the key properties of 11,13-dimethyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
11,13-dimethyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene has a molecular weight of 216.33 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,13-dimethyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene is sourced from PubChem (CID 59712102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).