2-octyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine

C15H30N2 — CID 70104347

IUPAC2-octyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
SMILESCCCCCCCCN1CC2CCCCN2C1
InChIInChI=1S/C15H30N2/c1-2-3-4-5-6-8-11-16-13-15-10-7-9-12-17(15)14-16/h15H,2-14H2,1H3
InChIKeyHWWRWMLODVOSCR-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.47
Rot. Bonds7

About 2-octyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine

2-octyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine (PubChem CID 70104347) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2-octyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name2-octyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
PubChem CID70104347
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2-octyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
SMILESCCCCCCCCN1CC2CCCCN2C1
InChIInChI=1S/C15H30N2/c1-2-3-4-5-6-8-11-16-13-15-10-7-9-12-17(15)14-16/h15H,2-14H2,1H3
InChIKeyHWWRWMLODVOSCR-UHFFFAOYSA-N
XLogP3.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-octyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,7S,9R)-7-pentyl-1,6-diazatricyclo[7.3.0.02,6]dodecane
CID 11053662
(2S,7R,9R)-7-pentyl-1,6-diazatricyclo[7.3.0.02,6]dodecane
CID 10857466
(5S,6aR,10aS)-Decahydro-5-propyldipyrrolo(1,2-a:1',2'-c)pyrimidine
CID 101725138
(2S,7R,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane
CID 101998391
7,9-Diazatricyclo[7.4.0.02,7]tridecane
CID 12424709
2-hexyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
CID 69826644
2-methyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
CID 156888855
CID 135035249
CID 135035249
7-fluoro-2-nonan-3-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 172350043
1H,5H-Pyrrolo[1',2':3,4]imidazo[1,5-a]pyridine, octahydro-
CID 558140
2-propyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
CID 85550803
(5S,6aR,10aS)-5-Propyldecahydrodipyrrolo[1,2-a:1',2'-c]pyrimidine
CID 86185317

Frequently Asked Questions

What is the IUPAC name of 2-octyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine?
The IUPAC name of 2-octyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine (CID 70104347) is 2-octyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine.
What is the SMILES notation for 2-octyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine?
The canonical SMILES for 2-octyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine is CCCCCCCCN1CC2CCCCN2C1.
What is the InChIKey of 2-octyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine?
The InChIKey is HWWRWMLODVOSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-2-3-4-5-6-8-11-16-13-15-10-7-9-12-17(15)14-16/h15H,2-14H2,1H3.
What are the key properties of 2-octyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine?
2-octyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine has a molecular weight of 238.42 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine is sourced from PubChem (CID 70104347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).