2,4,6-tri(cyclobutyl)-2,5-dihydropyridine

C17H25N — CID 54424054

IUPAC2,4,6-tri(cyclobutyl)-2,5-dihydropyridine
SMILESC1=C(C2CCC2)CC(C2CCC2)=NC1C1CCC1
InChIInChI=1S/C17H25N/c1-4-12(5-1)15-10-16(13-6-2-7-13)18-17(11-15)14-8-3-9-14/h10,12-14,16H,1-9,11H2
InChIKeyYGLGLSNBHYRWRD-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.53
Rot. Bonds3

About 2,4,6-tri(cyclobutyl)-2,5-dihydropyridine

2,4,6-tri(cyclobutyl)-2,5-dihydropyridine (PubChem CID 54424054) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 2,4,6-tri(cyclobutyl)-2,5-dihydropyridine.

Molecular Properties

Compound Name2,4,6-tri(cyclobutyl)-2,5-dihydropyridine
PubChem CID54424054
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name2,4,6-tri(cyclobutyl)-2,5-dihydropyridine
SMILESC1=C(C2CCC2)CC(C2CCC2)=NC1C1CCC1
InChIInChI=1S/C17H25N/c1-4-12(5-1)15-10-16(13-6-2-7-13)18-17(11-15)14-8-3-9-14/h10,12-14,16H,1-9,11H2
InChIKeyYGLGLSNBHYRWRD-UHFFFAOYSA-N
XLogP4.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.53
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

2,4,6-Tri(cycloheptyl)-2,5-dihydropyridine
CID 53885424
2,4,6-Tri(cyclooctyl)-2,5-dihydropyridine
CID 54201122
2,6-Di(cyclobutyl)-2,5-dihydropyridine
CID 54513464

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tri(cyclobutyl)-2,5-dihydropyridine?
The IUPAC name of 2,4,6-tri(cyclobutyl)-2,5-dihydropyridine (CID 54424054) is 2,4,6-tri(cyclobutyl)-2,5-dihydropyridine.
What is the SMILES notation for 2,4,6-tri(cyclobutyl)-2,5-dihydropyridine?
The canonical SMILES for 2,4,6-tri(cyclobutyl)-2,5-dihydropyridine is C1=C(C2CCC2)CC(C2CCC2)=NC1C1CCC1.
What is the InChIKey of 2,4,6-tri(cyclobutyl)-2,5-dihydropyridine?
The InChIKey is YGLGLSNBHYRWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-4-12(5-1)15-10-16(13-6-2-7-13)18-17(11-15)14-8-3-9-14/h10,12-14,16H,1-9,11H2.
What are the key properties of 2,4,6-tri(cyclobutyl)-2,5-dihydropyridine?
2,4,6-tri(cyclobutyl)-2,5-dihydropyridine has a molecular weight of 243.39 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tri(cyclobutyl)-2,5-dihydropyridine is sourced from PubChem (CID 54424054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).