3-cyclooctyl-2,5-dihydropyridine

C13H21N — CID 57316002

IUPAC3-cyclooctyl-2,5-dihydropyridine
SMILESC1=NCC(C2CCCCCCC2)=CC1
InChIInChI=1S/C13H21N/c1-2-4-7-12(8-5-3-1)13-9-6-10-14-11-13/h9-10,12H,1-8,11H2
InChIKeyUYZRCACSYSFBIW-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.75
Rot. Bonds1

About 3-cyclooctyl-2,5-dihydropyridine

3-cyclooctyl-2,5-dihydropyridine (PubChem CID 57316002) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 3-cyclooctyl-2,5-dihydropyridine.

Molecular Properties

Compound Name3-cyclooctyl-2,5-dihydropyridine
PubChem CID57316002
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name3-cyclooctyl-2,5-dihydropyridine
SMILESC1=NCC(C2CCCCCCC2)=CC1
InChIInChI=1S/C13H21N/c1-2-4-7-12(8-5-3-1)13-9-6-10-14-11-13/h9-10,12H,1-8,11H2
InChIKeyUYZRCACSYSFBIW-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-Butyl-3,5-dipropyl-2,3-dihydropyridine
CID 85526511
N-cyclohexyl-1-[(4Z)-cyclooct-4-en-1-yl]methanimine
CID 23391679
2-Cycloheptyl-2,5-dihydropyridine
CID 54266406
2-Cyclooctyl-2,5-dihydropyridine
CID 54424070
4-Cyclooctyl-2,5-dihydropyridine
CID 57059572
4-Cycloheptyl-2,5-dihydropyridine
CID 57091651
(8aS)-1,4,6,7,8,8a-hexahydroisoquinoline
CID 57106728
3-Cycloheptyl-2,5-dihydropyridine
CID 57165234
4-Cyclohexyl-2,5-dihydropyridine
CID 57199246
3-Cyclohexyl-2,5-dihydropyridine
CID 57213546
N-cyclohexyl-1-cyclooct-4-en-1-ylmethanimine
CID 74046971
3-(2-Methylbutylidene)-4-propyl-2,4,5,6,7,8-hexahydroazonine
CID 90769610

Frequently Asked Questions

What is the IUPAC name of 3-cyclooctyl-2,5-dihydropyridine?
The IUPAC name of 3-cyclooctyl-2,5-dihydropyridine (CID 57316002) is 3-cyclooctyl-2,5-dihydropyridine.
What is the SMILES notation for 3-cyclooctyl-2,5-dihydropyridine?
The canonical SMILES for 3-cyclooctyl-2,5-dihydropyridine is C1=NCC(C2CCCCCCC2)=CC1.
What is the InChIKey of 3-cyclooctyl-2,5-dihydropyridine?
The InChIKey is UYZRCACSYSFBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-2-4-7-12(8-5-3-1)13-9-6-10-14-11-13/h9-10,12H,1-8,11H2.
What are the key properties of 3-cyclooctyl-2,5-dihydropyridine?
3-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 3-cyclooctyl-2,5-dihydropyridine is sourced from PubChem (CID 57316002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).