(8aS)-2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-imine

C14H19N3 — CID 127039854

IUPAC(8aS)-2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-imine
SMILES[H]/N=C1\N(Cc2ccccc2)C[C@@H]2CCCCN12
InChIInChI=1S/C14H19N3/c15-14-16(10-12-6-2-1-3-7-12)11-13-8-4-5-9-17(13)14/h1-3,6-7,13,15H,4-5,8-11H2/b15-14+/t13-/m0/s1
InChIKeyFOPUDLUWYAMVTK-NPIURYIMSA-N
MW229.33 g/mol
LogP2.29
Rot. Bonds2

About (8aS)-2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-imine

(8aS)-2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-imine (PubChem CID 127039854) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is (8aS)-2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-imine.

Molecular Properties

Compound Name(8aS)-2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-imine
PubChem CID127039854
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name(8aS)-2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-imine
SMILES[H]/N=C1\N(Cc2ccccc2)C[C@@H]2CCCCN12
InChIInChI=1S/C14H19N3/c15-14-16(10-12-6-2-1-3-7-12)11-13-8-4-5-9-17(13)14/h1-3,6-7,13,15H,4-5,8-11H2/b15-14+/t13-/m0/s1
InChIKeyFOPUDLUWYAMVTK-NPIURYIMSA-N
XLogP2.29
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8aS)-2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-imine?
The IUPAC name of (8aS)-2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-imine (CID 127039854) is (8aS)-2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-imine.
What is the SMILES notation for (8aS)-2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-imine?
The canonical SMILES for (8aS)-2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-imine is [H]/N=C1\N(Cc2ccccc2)C[C@@H]2CCCCN12.
What is the InChIKey of (8aS)-2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-imine?
The InChIKey is FOPUDLUWYAMVTK-NPIURYIMSA-N. The full InChI is InChI=1S/C14H19N3/c15-14-16(10-12-6-2-1-3-7-12)11-13-8-4-5-9-17(13)14/h1-3,6-7,13,15H,4-5,8-11H2/b15-14+/t13-/m0/s1.
What are the key properties of (8aS)-2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-imine?
(8aS)-2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-imine has a molecular weight of 229.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-imine is sourced from PubChem (CID 127039854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).