5,8,8,11-tetramethyl-11,12,13-triazatricyclo[8.3.0.04,6]trideca-1(10),12-diene

C14H23N3 — CID 167089079

IUPAC5,8,8,11-tetramethyl-11,12,13-triazatricyclo[8.3.0.04,6]trideca-1(10),12-diene
SMILESCC1C2CCc3nnn(C)c3CC(C)(C)CC12
InChIInChI=1S/C14H23N3/c1-9-10-5-6-12-13(17(4)16-15-12)8-14(2,3)7-11(9)10/h9-11H,5-8H2,1-4H3
InChIKeyBEVYBRBWRWOTQG-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.60
Rot. Bonds

About 5,8,8,11-tetramethyl-11,12,13-triazatricyclo[8.3.0.04,6]trideca-1(10),12-diene

5,8,8,11-tetramethyl-11,12,13-triazatricyclo[8.3.0.04,6]trideca-1(10),12-diene (PubChem CID 167089079) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 5,8,8,11-tetramethyl-11,12,13-triazatricyclo[8.3.0.04,6]trideca-1(10),12-diene.

Molecular Properties

Compound Name5,8,8,11-tetramethyl-11,12,13-triazatricyclo[8.3.0.04,6]trideca-1(10),12-diene
PubChem CID167089079
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name5,8,8,11-tetramethyl-11,12,13-triazatricyclo[8.3.0.04,6]trideca-1(10),12-diene
SMILESCC1C2CCc3nnn(C)c3CC(C)(C)CC12
InChIInChI=1S/C14H23N3/c1-9-10-5-6-12-13(17(4)16-15-12)8-14(2,3)7-11(9)10/h9-11H,5-8H2,1-4H3
InChIKeyBEVYBRBWRWOTQG-UHFFFAOYSA-N
XLogP2.60
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,8,8,11-tetramethyl-11,12,13-triazatricyclo[8.3.0.04,6]trideca-1(10),12-diene?
The IUPAC name of 5,8,8,11-tetramethyl-11,12,13-triazatricyclo[8.3.0.04,6]trideca-1(10),12-diene (CID 167089079) is 5,8,8,11-tetramethyl-11,12,13-triazatricyclo[8.3.0.04,6]trideca-1(10),12-diene.
What is the SMILES notation for 5,8,8,11-tetramethyl-11,12,13-triazatricyclo[8.3.0.04,6]trideca-1(10),12-diene?
The canonical SMILES for 5,8,8,11-tetramethyl-11,12,13-triazatricyclo[8.3.0.04,6]trideca-1(10),12-diene is CC1C2CCc3nnn(C)c3CC(C)(C)CC12.
What is the InChIKey of 5,8,8,11-tetramethyl-11,12,13-triazatricyclo[8.3.0.04,6]trideca-1(10),12-diene?
The InChIKey is BEVYBRBWRWOTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-9-10-5-6-12-13(17(4)16-15-12)8-14(2,3)7-11(9)10/h9-11H,5-8H2,1-4H3.
What are the key properties of 5,8,8,11-tetramethyl-11,12,13-triazatricyclo[8.3.0.04,6]trideca-1(10),12-diene?
5,8,8,11-tetramethyl-11,12,13-triazatricyclo[8.3.0.04,6]trideca-1(10),12-diene has a molecular weight of 233.36 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8,8,11-tetramethyl-11,12,13-triazatricyclo[8.3.0.04,6]trideca-1(10),12-diene is sourced from PubChem (CID 167089079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).