3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11-diene

C11H20N4 — CID 163677214

IUPAC3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11-diene
SMILESC1=C2CNCCNCCNCC(=N2)CC1
InChIInChI=1S/C11H20N4/c1-2-10-8-13-6-4-12-5-7-14-9-11(3-1)15-10/h2,12-14H,1,3-9H2
InChIKeyJHRSZOCHWTYMIN-UHFFFAOYSA-N
MW208.31 g/mol
LogP-0.11
Rot. Bonds

About 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11-diene

3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11-diene (PubChem CID 163677214) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11-diene.

Molecular Properties

Compound Name3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11-diene
PubChem CID163677214
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11-diene
SMILESC1=C2CNCCNCCNCC(=N2)CC1
InChIInChI=1S/C11H20N4/c1-2-10-8-13-6-4-12-5-7-14-9-11(3-1)15-10/h2,12-14H,1,3-9H2
InChIKeyJHRSZOCHWTYMIN-UHFFFAOYSA-N
XLogP-0.11
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11-diene?
The IUPAC name of 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11-diene (CID 163677214) is 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11-diene.
What is the SMILES notation for 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11-diene?
The canonical SMILES for 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11-diene is C1=C2CNCCNCCNCC(=N2)CC1.
What is the InChIKey of 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11-diene?
The InChIKey is JHRSZOCHWTYMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-2-10-8-13-6-4-12-5-7-14-9-11(3-1)15-10/h2,12-14H,1,3-9H2.
What are the key properties of 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11-diene?
3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11-diene has a molecular weight of 208.31 g/mol, XLogP of -0.11, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11-diene is sourced from PubChem (CID 163677214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).