6-tert-butyl-2,5-dihydropyridine;methane

C10H19N — CID 157395266

IUPAC6-tert-butyl-2,5-dihydropyridine;methane
SMILESC.CC(C)(C)C1=NCC=CC1
InChIInChI=1S/C9H15N.CH4/c1-9(2,3)8-6-4-5-7-10-8;/h4-5H,6-7H2,1-3H3;1H4
InChIKeyBMMNSSFOEGXLDD-UHFFFAOYSA-N
MW153.27 g/mol
LogP3.07
Rot. Bonds

About 6-tert-butyl-2,5-dihydropyridine;methane

6-tert-butyl-2,5-dihydropyridine;methane (PubChem CID 157395266) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 6-tert-butyl-2,5-dihydropyridine;methane.

Molecular Properties

Compound Name6-tert-butyl-2,5-dihydropyridine;methane
PubChem CID157395266
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name6-tert-butyl-2,5-dihydropyridine;methane
SMILESC.CC(C)(C)C1=NCC=CC1
InChIInChI=1S/C9H15N.CH4/c1-9(2,3)8-6-4-5-7-10-8;/h4-5H,6-7H2,1-3H3;1H4
InChIKeyBMMNSSFOEGXLDD-UHFFFAOYSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,5-dihydropyridine;methane?
The IUPAC name of 6-tert-butyl-2,5-dihydropyridine;methane (CID 157395266) is 6-tert-butyl-2,5-dihydropyridine;methane.
What is the SMILES notation for 6-tert-butyl-2,5-dihydropyridine;methane?
The canonical SMILES for 6-tert-butyl-2,5-dihydropyridine;methane is C.CC(C)(C)C1=NCC=CC1.
What is the InChIKey of 6-tert-butyl-2,5-dihydropyridine;methane?
The InChIKey is BMMNSSFOEGXLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.CH4/c1-9(2,3)8-6-4-5-7-10-8;/h4-5H,6-7H2,1-3H3;1H4.
What are the key properties of 6-tert-butyl-2,5-dihydropyridine;methane?
6-tert-butyl-2,5-dihydropyridine;methane has a molecular weight of 153.27 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,5-dihydropyridine;methane is sourced from PubChem (CID 157395266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).