3,6,8,15-tetrazabicyclo[9.3.1]pentadecane

C11H24N4 — CID 175301929

IUPAC3,6,8,15-tetrazabicyclo[9.3.1]pentadecane
SMILESC1CC2CCNCNCCNCC(C1)N2
InChIInChI=1S/C11H24N4/c1-2-10-4-5-13-9-14-7-6-12-8-11(3-1)15-10/h10-15H,1-9H2
InChIKeyZRSSNPRDPSORNL-UHFFFAOYSA-N
MW212.34 g/mol
LogP-0.37
Rot. Bonds

About 3,6,8,15-tetrazabicyclo[9.3.1]pentadecane

3,6,8,15-tetrazabicyclo[9.3.1]pentadecane (PubChem CID 175301929) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 3,6,8,15-tetrazabicyclo[9.3.1]pentadecane.

Molecular Properties

Compound Name3,6,8,15-tetrazabicyclo[9.3.1]pentadecane
PubChem CID175301929
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name3,6,8,15-tetrazabicyclo[9.3.1]pentadecane
SMILESC1CC2CCNCNCCNCC(C1)N2
InChIInChI=1S/C11H24N4/c1-2-10-4-5-13-9-14-7-6-12-8-11(3-1)15-10/h10-15H,1-9H2
InChIKeyZRSSNPRDPSORNL-UHFFFAOYSA-N
XLogP-0.37
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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imidazolidine;hydrofluoride
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1,3-diazepan-5-ol
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1,2,3,4,4a,5,5a,6,7,8,9,9a,10,10a-tetradecahydrophenazine;1,3-diazinane
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Frequently Asked Questions

What is the IUPAC name of 3,6,8,15-tetrazabicyclo[9.3.1]pentadecane?
The IUPAC name of 3,6,8,15-tetrazabicyclo[9.3.1]pentadecane (CID 175301929) is 3,6,8,15-tetrazabicyclo[9.3.1]pentadecane.
What is the SMILES notation for 3,6,8,15-tetrazabicyclo[9.3.1]pentadecane?
The canonical SMILES for 3,6,8,15-tetrazabicyclo[9.3.1]pentadecane is C1CC2CCNCNCCNCC(C1)N2.
What is the InChIKey of 3,6,8,15-tetrazabicyclo[9.3.1]pentadecane?
The InChIKey is ZRSSNPRDPSORNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-2-10-4-5-13-9-14-7-6-12-8-11(3-1)15-10/h10-15H,1-9H2.
What are the key properties of 3,6,8,15-tetrazabicyclo[9.3.1]pentadecane?
3,6,8,15-tetrazabicyclo[9.3.1]pentadecane has a molecular weight of 212.34 g/mol, XLogP of -0.37, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,8,15-tetrazabicyclo[9.3.1]pentadecane is sourced from PubChem (CID 175301929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).