4,6,7,8,9,10-hexahydropyrido[1,2-a]azepine

C10H15N — CID 69323531

IUPAC4,6,7,8,9,10-hexahydropyrido[1,2-a]azepine
SMILESC1=CCN2CCCCCC2=C1
InChIInChI=1S/C10H15N/c1-2-6-10-7-3-5-9-11(10)8-4-1/h3,5,7H,1-2,4,6,8-9H2
InChIKeyFAIHSGLMAZBJAZ-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.32
Rot. Bonds

About 4,6,7,8,9,10-hexahydropyrido[1,2-a]azepine

4,6,7,8,9,10-hexahydropyrido[1,2-a]azepine (PubChem CID 69323531) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 4,6,7,8,9,10-hexahydropyrido[1,2-a]azepine.

Molecular Properties

Compound Name4,6,7,8,9,10-hexahydropyrido[1,2-a]azepine
PubChem CID69323531
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name4,6,7,8,9,10-hexahydropyrido[1,2-a]azepine
SMILESC1=CCN2CCCCCC2=C1
InChIInChI=1S/C10H15N/c1-2-6-10-7-3-5-9-11(10)8-4-1/h3,5,7H,1-2,4,6,8-9H2
InChIKeyFAIHSGLMAZBJAZ-UHFFFAOYSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,6,7,8,9,10-hexahydropyrido[1,2-a]azepine 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 4,6,7,8,9,10-hexahydropyrido[1,2-a]azepine?
The IUPAC name of 4,6,7,8,9,10-hexahydropyrido[1,2-a]azepine (CID 69323531) is 4,6,7,8,9,10-hexahydropyrido[1,2-a]azepine.
What is the SMILES notation for 4,6,7,8,9,10-hexahydropyrido[1,2-a]azepine?
The canonical SMILES for 4,6,7,8,9,10-hexahydropyrido[1,2-a]azepine is C1=CCN2CCCCCC2=C1.
What is the InChIKey of 4,6,7,8,9,10-hexahydropyrido[1,2-a]azepine?
The InChIKey is FAIHSGLMAZBJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-2-6-10-7-3-5-9-11(10)8-4-1/h3,5,7H,1-2,4,6,8-9H2.
What are the key properties of 4,6,7,8,9,10-hexahydropyrido[1,2-a]azepine?
4,6,7,8,9,10-hexahydropyrido[1,2-a]azepine has a molecular weight of 149.24 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7,8,9,10-hexahydropyrido[1,2-a]azepine is sourced from PubChem (CID 69323531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).