3,3-diethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

C15H22N2 — CID 118055234

IUPAC3,3-diethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESCCC1(CC)CN2CCNCc3cccc1c32
InChIInChI=1S/C15H22N2/c1-3-15(4-2)11-17-9-8-16-10-12-6-5-7-13(15)14(12)17/h5-7,16H,3-4,8-11H2,1-2H3
InChIKeyQRINVCDYIWIKDB-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.67
Rot. Bonds2

About 3,3-diethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

3,3-diethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (PubChem CID 118055234) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3,3-diethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.

Molecular Properties

Compound Name3,3-diethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
PubChem CID118055234
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name3,3-diethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESCCC1(CC)CN2CCNCc3cccc1c32
InChIInChI=1S/C15H22N2/c1-3-15(4-2)11-17-9-8-16-10-12-6-5-7-13(15)14(12)17/h5-7,16H,3-4,8-11H2,1-2H3
InChIKeyQRINVCDYIWIKDB-UHFFFAOYSA-N
XLogP2.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The IUPAC name of 3,3-diethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (CID 118055234) is 3,3-diethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.
What is the SMILES notation for 3,3-diethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The canonical SMILES for 3,3-diethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is CCC1(CC)CN2CCNCc3cccc1c32.
What is the InChIKey of 3,3-diethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The InChIKey is QRINVCDYIWIKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-3-15(4-2)11-17-9-8-16-10-12-6-5-7-13(15)14(12)17/h5-7,16H,3-4,8-11H2,1-2H3.
What are the key properties of 3,3-diethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
3,3-diethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene has a molecular weight of 230.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is sourced from PubChem (CID 118055234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).