1-methyl-1,2,3,5,6,8a-hexahydroimidazo[1,5-a]pyridine

C8H14N2 — CID 123856858

IUPAC1-methyl-1,2,3,5,6,8a-hexahydroimidazo[1,5-a]pyridine
SMILESCC1NCN2CCC=CC12
InChIInChI=1S/C8H14N2/c1-7-8-4-2-3-5-10(8)6-9-7/h2,4,7-9H,3,5-6H2,1H3
InChIKeyDDGXKGYIKIEXKM-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.57
Rot. Bonds

About 1-methyl-1,2,3,5,6,8a-hexahydroimidazo[1,5-a]pyridine

1-methyl-1,2,3,5,6,8a-hexahydroimidazo[1,5-a]pyridine (PubChem CID 123856858) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-methyl-1,2,3,5,6,8a-hexahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-methyl-1,2,3,5,6,8a-hexahydroimidazo[1,5-a]pyridine
PubChem CID123856858
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-methyl-1,2,3,5,6,8a-hexahydroimidazo[1,5-a]pyridine
SMILESCC1NCN2CCC=CC12
InChIInChI=1S/C8H14N2/c1-7-8-4-2-3-5-10(8)6-9-7/h2,4,7-9H,3,5-6H2,1H3
InChIKeyDDGXKGYIKIEXKM-UHFFFAOYSA-N
XLogP0.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,2,3,5,6,8a-hexahydroimidazo[1,5-a]pyridine?
The IUPAC name of 1-methyl-1,2,3,5,6,8a-hexahydroimidazo[1,5-a]pyridine (CID 123856858) is 1-methyl-1,2,3,5,6,8a-hexahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-methyl-1,2,3,5,6,8a-hexahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 1-methyl-1,2,3,5,6,8a-hexahydroimidazo[1,5-a]pyridine is CC1NCN2CCC=CC12.
What is the InChIKey of 1-methyl-1,2,3,5,6,8a-hexahydroimidazo[1,5-a]pyridine?
The InChIKey is DDGXKGYIKIEXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7-8-4-2-3-5-10(8)6-9-7/h2,4,7-9H,3,5-6H2,1H3.
What are the key properties of 1-methyl-1,2,3,5,6,8a-hexahydroimidazo[1,5-a]pyridine?
1-methyl-1,2,3,5,6,8a-hexahydroimidazo[1,5-a]pyridine has a molecular weight of 138.21 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2,3,5,6,8a-hexahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 123856858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).