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

C14H28N2 — CID 70106252

IUPAC2-heptyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
SMILESCCCCCCCN1CC2CCCCN2C1
InChIInChI=1S/C14H28N2/c1-2-3-4-5-7-10-15-12-14-9-6-8-11-16(14)13-15/h14H,2-13H2,1H3
InChIKeyKQBMMPBALQIJOR-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.08
Rot. Bonds6

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

2-heptyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine (PubChem CID 70106252) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-heptyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name2-heptyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
PubChem CID70106252
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2-heptyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
SMILESCCCCCCCN1CC2CCCCN2C1
InChIInChI=1S/C14H28N2/c1-2-3-4-5-7-10-15-12-14-9-6-8-11-16(14)13-15/h14H,2-13H2,1H3
InChIKeyKQBMMPBALQIJOR-UHFFFAOYSA-N
XLogP3.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-heptyl-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

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine?
The IUPAC name of 2-heptyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine (CID 70106252) is 2-heptyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine.
What is the SMILES notation for 2-heptyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine?
The canonical SMILES for 2-heptyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine is CCCCCCCN1CC2CCCCN2C1.
What is the InChIKey of 2-heptyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine?
The InChIKey is KQBMMPBALQIJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-2-3-4-5-7-10-15-12-14-9-6-8-11-16(14)13-15/h14H,2-13H2,1H3.
What are the key properties of 2-heptyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine?
2-heptyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine has a molecular weight of 224.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine is sourced from PubChem (CID 70106252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).