2-methyl-5,6,7,8,9,10,11,12-octahydroimidazo[1,2-a]azecine

C12H20N2 — CID 123797625

IUPAC2-methyl-5,6,7,8,9,10,11,12-octahydroimidazo[1,2-a]azecine
SMILESCc1cn2c(n1)CCCCCCCC2
InChIInChI=1S/C12H20N2/c1-11-10-14-9-7-5-3-2-4-6-8-12(14)13-11/h10H,2-9H2,1H3
InChIKeyMRWPJPYCZMXWAK-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.09
Rot. Bonds

About 2-methyl-5,6,7,8,9,10,11,12-octahydroimidazo[1,2-a]azecine

2-methyl-5,6,7,8,9,10,11,12-octahydroimidazo[1,2-a]azecine (PubChem CID 123797625) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-methyl-5,6,7,8,9,10,11,12-octahydroimidazo[1,2-a]azecine.

Molecular Properties

Compound Name2-methyl-5,6,7,8,9,10,11,12-octahydroimidazo[1,2-a]azecine
PubChem CID123797625
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-methyl-5,6,7,8,9,10,11,12-octahydroimidazo[1,2-a]azecine
SMILESCc1cn2c(n1)CCCCCCCC2
InChIInChI=1S/C12H20N2/c1-11-10-14-9-7-5-3-2-4-6-8-12(14)13-11/h10H,2-9H2,1H3
InChIKeyMRWPJPYCZMXWAK-UHFFFAOYSA-N
XLogP3.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6,7,8,9,10,11,12-octahydroimidazo[1,2-a]azecine?
The IUPAC name of 2-methyl-5,6,7,8,9,10,11,12-octahydroimidazo[1,2-a]azecine (CID 123797625) is 2-methyl-5,6,7,8,9,10,11,12-octahydroimidazo[1,2-a]azecine.
What is the SMILES notation for 2-methyl-5,6,7,8,9,10,11,12-octahydroimidazo[1,2-a]azecine?
The canonical SMILES for 2-methyl-5,6,7,8,9,10,11,12-octahydroimidazo[1,2-a]azecine is Cc1cn2c(n1)CCCCCCCC2.
What is the InChIKey of 2-methyl-5,6,7,8,9,10,11,12-octahydroimidazo[1,2-a]azecine?
The InChIKey is MRWPJPYCZMXWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-11-10-14-9-7-5-3-2-4-6-8-12(14)13-11/h10H,2-9H2,1H3.
What are the key properties of 2-methyl-5,6,7,8,9,10,11,12-octahydroimidazo[1,2-a]azecine?
2-methyl-5,6,7,8,9,10,11,12-octahydroimidazo[1,2-a]azecine has a molecular weight of 192.31 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6,7,8,9,10,11,12-octahydroimidazo[1,2-a]azecine is sourced from PubChem (CID 123797625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).