9-pentyl-4H-quinolizine

C14H19N — CID 87126698

IUPAC9-pentyl-4H-quinolizine
SMILESCCCCCC1=CC=CN2CC=CC=C12
InChIInChI=1S/C14H19N/c1-2-3-4-8-13-9-7-12-15-11-6-5-10-14(13)15/h5-7,9-10,12H,2-4,8,11H2,1H3
InChIKeyFGYOWFJTTDXDRU-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.78
Rot. Bonds4

About 9-pentyl-4H-quinolizine

9-pentyl-4H-quinolizine (PubChem CID 87126698) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 9-pentyl-4H-quinolizine.

Molecular Properties

Compound Name9-pentyl-4H-quinolizine
PubChem CID87126698
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name9-pentyl-4H-quinolizine
SMILESCCCCCC1=CC=CN2CC=CC=C12
InChIInChI=1S/C14H19N/c1-2-3-4-8-13-9-7-12-15-11-6-5-10-14(13)15/h5-7,9-10,12H,2-4,8,11H2,1H3
InChIKeyFGYOWFJTTDXDRU-UHFFFAOYSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-pentyl-4H-quinolizine?
The IUPAC name of 9-pentyl-4H-quinolizine (CID 87126698) is 9-pentyl-4H-quinolizine.
What is the SMILES notation for 9-pentyl-4H-quinolizine?
The canonical SMILES for 9-pentyl-4H-quinolizine is CCCCCC1=CC=CN2CC=CC=C12.
What is the InChIKey of 9-pentyl-4H-quinolizine?
The InChIKey is FGYOWFJTTDXDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-2-3-4-8-13-9-7-12-15-11-6-5-10-14(13)15/h5-7,9-10,12H,2-4,8,11H2,1H3.
What are the key properties of 9-pentyl-4H-quinolizine?
9-pentyl-4H-quinolizine has a molecular weight of 201.31 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pentyl-4H-quinolizine is sourced from PubChem (CID 87126698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).