1,5,6,7,8,9,10,11,12,12a-decahydroimidazo[1,5-a]azecine

C11H20N2 — CID 153219055

IUPAC1,5,6,7,8,9,10,11,12,12a-decahydroimidazo[1,5-a]azecine
SMILESC1=NCC2CCCCCCCCN12
InChIInChI=1S/C11H20N2/c1-2-4-6-8-13-10-12-9-11(13)7-5-3-1/h10-11H,1-9H2
InChIKeyWNHBTAHLRPDJJF-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.44
Rot. Bonds

About 1,5,6,7,8,9,10,11,12,12a-decahydroimidazo[1,5-a]azecine

1,5,6,7,8,9,10,11,12,12a-decahydroimidazo[1,5-a]azecine (PubChem CID 153219055) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1,5,6,7,8,9,10,11,12,12a-decahydroimidazo[1,5-a]azecine.

Molecular Properties

Compound Name1,5,6,7,8,9,10,11,12,12a-decahydroimidazo[1,5-a]azecine
PubChem CID153219055
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1,5,6,7,8,9,10,11,12,12a-decahydroimidazo[1,5-a]azecine
SMILESC1=NCC2CCCCCCCCN12
InChIInChI=1S/C11H20N2/c1-2-4-6-8-13-10-12-9-11(13)7-5-3-1/h10-11H,1-9H2
InChIKeyWNHBTAHLRPDJJF-UHFFFAOYSA-N
XLogP2.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5,6,7,8,9,10,11,12,12a-decahydroimidazo[1,5-a]azecine?
The IUPAC name of 1,5,6,7,8,9,10,11,12,12a-decahydroimidazo[1,5-a]azecine (CID 153219055) is 1,5,6,7,8,9,10,11,12,12a-decahydroimidazo[1,5-a]azecine.
What is the SMILES notation for 1,5,6,7,8,9,10,11,12,12a-decahydroimidazo[1,5-a]azecine?
The canonical SMILES for 1,5,6,7,8,9,10,11,12,12a-decahydroimidazo[1,5-a]azecine is C1=NCC2CCCCCCCCN12.
What is the InChIKey of 1,5,6,7,8,9,10,11,12,12a-decahydroimidazo[1,5-a]azecine?
The InChIKey is WNHBTAHLRPDJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-4-6-8-13-10-12-9-11(13)7-5-3-1/h10-11H,1-9H2.
What are the key properties of 1,5,6,7,8,9,10,11,12,12a-decahydroimidazo[1,5-a]azecine?
1,5,6,7,8,9,10,11,12,12a-decahydroimidazo[1,5-a]azecine has a molecular weight of 180.29 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6,7,8,9,10,11,12,12a-decahydroimidazo[1,5-a]azecine is sourced from PubChem (CID 153219055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).