4-cyclooctyl-2,5-dihydropyridine

C13H21N — CID 57059572

IUPAC4-cyclooctyl-2,5-dihydropyridine
SMILESC1=NCC=C(C2CCCCCCC2)C1
InChIInChI=1S/C13H21N/c1-2-4-6-12(7-5-3-1)13-8-10-14-11-9-13/h8,11-12H,1-7,9-10H2
InChIKeyQMEZHJHIMNXGBX-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.75
Rot. Bonds1

About 4-cyclooctyl-2,5-dihydropyridine

4-cyclooctyl-2,5-dihydropyridine (PubChem CID 57059572) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 4-cyclooctyl-2,5-dihydropyridine.

Molecular Properties

Compound Name4-cyclooctyl-2,5-dihydropyridine
PubChem CID57059572
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name4-cyclooctyl-2,5-dihydropyridine
SMILESC1=NCC=C(C2CCCCCCC2)C1
InChIInChI=1S/C13H21N/c1-2-4-6-12(7-5-3-1)13-8-10-14-11-9-13/h8,11-12H,1-7,9-10H2
InChIKeyQMEZHJHIMNXGBX-UHFFFAOYSA-N
XLogP3.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclooctyl-2,5-dihydropyridine
CID 54424070
4-Cyclobutyl-2,5-dihydropyridine
CID 57080899
4-Cycloheptyl-2,5-dihydropyridine
CID 57091651
3-Cycloheptyl-2,5-dihydropyridine
CID 57165234
4-Cyclohexyl-2,5-dihydropyridine
CID 57199246
3-Cyclohexyl-2,5-dihydropyridine
CID 57213546
3-Cyclooctyl-2,5-dihydropyridine
CID 57316002
3-(2-Methylbutylidene)-4-propyl-2,4,5,6,7,8-hexahydroazonine
CID 90769610
4-Propan-2-yl-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine
CID 118582192
N-ethyl-4-(3,5,8-trimethylcyclooct-3-en-1-yl)butan-1-imine
CID 123359959
3,5,6,7,8,9,10,10a-Octahydrocycloocta[c]pyridine
CID 124184656
(6E)-6-cyclohex-2-en-1-yl-2,3,4,5-tetrahydroazocine
CID 126707069

Frequently Asked Questions

What is the IUPAC name of 4-cyclooctyl-2,5-dihydropyridine?
The IUPAC name of 4-cyclooctyl-2,5-dihydropyridine (CID 57059572) is 4-cyclooctyl-2,5-dihydropyridine.
What is the SMILES notation for 4-cyclooctyl-2,5-dihydropyridine?
The canonical SMILES for 4-cyclooctyl-2,5-dihydropyridine is C1=NCC=C(C2CCCCCCC2)C1.
What is the InChIKey of 4-cyclooctyl-2,5-dihydropyridine?
The InChIKey is QMEZHJHIMNXGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-2-4-6-12(7-5-3-1)13-8-10-14-11-9-13/h8,11-12H,1-7,9-10H2.
What are the key properties of 4-cyclooctyl-2,5-dihydropyridine?
4-cyclooctyl-2,5-dihydropyridine has a molecular weight of 191.32 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclooctyl-2,5-dihydropyridine is sourced from PubChem (CID 57059572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).