12,13-diazabicyclo[9.2.1]tetradec-1(13)-ene

C12H22N2 — CID 121011024

IUPAC12,13-diazabicyclo[9.2.1]tetradec-1(13)-ene
SMILESC1CCCCC2=NNC(CCCC1)C2
InChIInChI=1S/C12H22N2/c1-2-4-6-8-11-10-12(14-13-11)9-7-5-3-1/h11,13H,1-10H2
InChIKeyLLGHAXONHABOTE-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.23
Rot. Bonds

About 12,13-diazabicyclo[9.2.1]tetradec-1(13)-ene

12,13-diazabicyclo[9.2.1]tetradec-1(13)-ene (PubChem CID 121011024) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 12,13-diazabicyclo[9.2.1]tetradec-1(13)-ene.

Molecular Properties

Compound Name12,13-diazabicyclo[9.2.1]tetradec-1(13)-ene
PubChem CID121011024
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name12,13-diazabicyclo[9.2.1]tetradec-1(13)-ene
SMILESC1CCCCC2=NNC(CCCC1)C2
InChIInChI=1S/C12H22N2/c1-2-4-6-8-11-10-12(14-13-11)9-7-5-3-1/h11,13H,1-10H2
InChIKeyLLGHAXONHABOTE-UHFFFAOYSA-N
XLogP3.23
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 12,13-diazabicyclo[9.2.1]tetradec-1(13)-ene?
The IUPAC name of 12,13-diazabicyclo[9.2.1]tetradec-1(13)-ene (CID 121011024) is 12,13-diazabicyclo[9.2.1]tetradec-1(13)-ene.
What is the SMILES notation for 12,13-diazabicyclo[9.2.1]tetradec-1(13)-ene?
The canonical SMILES for 12,13-diazabicyclo[9.2.1]tetradec-1(13)-ene is C1CCCCC2=NNC(CCCC1)C2.
What is the InChIKey of 12,13-diazabicyclo[9.2.1]tetradec-1(13)-ene?
The InChIKey is LLGHAXONHABOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-4-6-8-11-10-12(14-13-11)9-7-5-3-1/h11,13H,1-10H2.
What are the key properties of 12,13-diazabicyclo[9.2.1]tetradec-1(13)-ene?
12,13-diazabicyclo[9.2.1]tetradec-1(13)-ene has a molecular weight of 194.32 g/mol, XLogP of 3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,13-diazabicyclo[9.2.1]tetradec-1(13)-ene is sourced from PubChem (CID 121011024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).