2,6-di(cyclobutyl)-2,5-dihydropyridine

C13H19N — CID 54513464

IUPAC2,6-di(cyclobutyl)-2,5-dihydropyridine
SMILESC1=CC(C2CCC2)N=C(C2CCC2)C1
InChIInChI=1S/C13H19N/c1-4-10(5-1)12-8-3-9-13(14-12)11-6-2-7-11/h3,8,10-12H,1-2,4-7,9H2
InChIKeyKHNUVAPHMXFOQH-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.36
Rot. Bonds2

About 2,6-di(cyclobutyl)-2,5-dihydropyridine

2,6-di(cyclobutyl)-2,5-dihydropyridine (PubChem CID 54513464) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2,6-di(cyclobutyl)-2,5-dihydropyridine.

Molecular Properties

Compound Name2,6-di(cyclobutyl)-2,5-dihydropyridine
PubChem CID54513464
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2,6-di(cyclobutyl)-2,5-dihydropyridine
SMILESC1=CC(C2CCC2)N=C(C2CCC2)C1
InChIInChI=1S/C13H19N/c1-4-10(5-1)12-8-3-9-13(14-12)11-6-2-7-11/h3,8,10-12H,1-2,4-7,9H2
InChIKeyKHNUVAPHMXFOQH-UHFFFAOYSA-N
XLogP3.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.36
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-Cyclobutyl-2,5-dihydropyridine
CID 54269617
2,4,6-Tri(cyclobutyl)-2,5-dihydropyridine
CID 54424054
N-[2,4-dimethyl-3-[(Z)-prop-1-enyl]cyclobutyl]propan-2-imine
CID 88276317
N-(6-methylcyclohex-2-en-1-yl)butan-2-imine
CID 142019920
2-Cyclobutyl-6-methyl-2,3-dihydropyridine
CID 170382022
(1R,5S)-3-ethyl-2-azabicyclo[3.2.0]hepta-2,6-diene
CID 21779122
3-Methyl-2-azabicyclo[2.2.2]octa-2,5-diene
CID 131855311

Frequently Asked Questions

What is the IUPAC name of 2,6-di(cyclobutyl)-2,5-dihydropyridine?
The IUPAC name of 2,6-di(cyclobutyl)-2,5-dihydropyridine (CID 54513464) is 2,6-di(cyclobutyl)-2,5-dihydropyridine.
What is the SMILES notation for 2,6-di(cyclobutyl)-2,5-dihydropyridine?
The canonical SMILES for 2,6-di(cyclobutyl)-2,5-dihydropyridine is C1=CC(C2CCC2)N=C(C2CCC2)C1.
What is the InChIKey of 2,6-di(cyclobutyl)-2,5-dihydropyridine?
The InChIKey is KHNUVAPHMXFOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-4-10(5-1)12-8-3-9-13(14-12)11-6-2-7-11/h3,8,10-12H,1-2,4-7,9H2.
What are the key properties of 2,6-di(cyclobutyl)-2,5-dihydropyridine?
2,6-di(cyclobutyl)-2,5-dihydropyridine has a molecular weight of 189.30 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(cyclobutyl)-2,5-dihydropyridine is sourced from PubChem (CID 54513464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).