(10E)-2,10-dimethyl-3,6,9,12-tetrazabicyclo[9.3.1]pentadeca-1(15),2,10,12-tetraene

C13H20N4 — CID 70236898

IUPAC(10E)-2,10-dimethyl-3,6,9,12-tetrazabicyclo[9.3.1]pentadeca-1(15),2,10,12-tetraene
SMILESC/C1=N/CCNCCN/C(C)=C2\C=C1CC=N2
InChIInChI=1S/C13H20N4/c1-10-12-3-4-17-13(9-12)11(2)16-8-6-14-5-7-15-10/h4,9,14,16H,3,5-8H2,1-2H3/b13-11+,15-10-
InChIKeyCSBFOJHEOLETPU-OPLAHFIWSA-N
MW232.33 g/mol
LogP1.27
Rot. Bonds

About (10E)-2,10-dimethyl-3,6,9,12-tetrazabicyclo[9.3.1]pentadeca-1(15),2,10,12-tetraene

(10E)-2,10-dimethyl-3,6,9,12-tetrazabicyclo[9.3.1]pentadeca-1(15),2,10,12-tetraene (PubChem CID 70236898) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is (10E)-2,10-dimethyl-3,6,9,12-tetrazabicyclo[9.3.1]pentadeca-1(15),2,10,12-tetraene.

Molecular Properties

Compound Name(10E)-2,10-dimethyl-3,6,9,12-tetrazabicyclo[9.3.1]pentadeca-1(15),2,10,12-tetraene
PubChem CID70236898
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name(10E)-2,10-dimethyl-3,6,9,12-tetrazabicyclo[9.3.1]pentadeca-1(15),2,10,12-tetraene
SMILESC/C1=N/CCNCCN/C(C)=C2\C=C1CC=N2
InChIInChI=1S/C13H20N4/c1-10-12-3-4-17-13(9-12)11(2)16-8-6-14-5-7-15-10/h4,9,14,16H,3,5-8H2,1-2H3/b13-11+,15-10-
InChIKeyCSBFOJHEOLETPU-OPLAHFIWSA-N
XLogP1.27
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (10E)-2,10-dimethyl-3,6,9,12-tetrazabicyclo[9.3.1]pentadeca-1(15),2,10,12-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10E)-2,10-dimethyl-3,6,9,12-tetrazabicyclo[9.3.1]pentadeca-1(15),2,10,12-tetraene?
The IUPAC name of (10E)-2,10-dimethyl-3,6,9,12-tetrazabicyclo[9.3.1]pentadeca-1(15),2,10,12-tetraene (CID 70236898) is (10E)-2,10-dimethyl-3,6,9,12-tetrazabicyclo[9.3.1]pentadeca-1(15),2,10,12-tetraene.
What is the SMILES notation for (10E)-2,10-dimethyl-3,6,9,12-tetrazabicyclo[9.3.1]pentadeca-1(15),2,10,12-tetraene?
The canonical SMILES for (10E)-2,10-dimethyl-3,6,9,12-tetrazabicyclo[9.3.1]pentadeca-1(15),2,10,12-tetraene is C/C1=N/CCNCCN/C(C)=C2\C=C1CC=N2.
What is the InChIKey of (10E)-2,10-dimethyl-3,6,9,12-tetrazabicyclo[9.3.1]pentadeca-1(15),2,10,12-tetraene?
The InChIKey is CSBFOJHEOLETPU-OPLAHFIWSA-N. The full InChI is InChI=1S/C13H20N4/c1-10-12-3-4-17-13(9-12)11(2)16-8-6-14-5-7-15-10/h4,9,14,16H,3,5-8H2,1-2H3/b13-11+,15-10-.
What are the key properties of (10E)-2,10-dimethyl-3,6,9,12-tetrazabicyclo[9.3.1]pentadeca-1(15),2,10,12-tetraene?
(10E)-2,10-dimethyl-3,6,9,12-tetrazabicyclo[9.3.1]pentadeca-1(15),2,10,12-tetraene has a molecular weight of 232.33 g/mol, XLogP of 1.27, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10E)-2,10-dimethyl-3,6,9,12-tetrazabicyclo[9.3.1]pentadeca-1(15),2,10,12-tetraene is sourced from PubChem (CID 70236898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).