5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridine

C15H25NO — CID 177265556

IUPAC5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)(C)C1=CCCN(C2CC3(COC3)C2)C1
InChIInChI=1S/C15H25NO/c1-14(2,3)12-5-4-6-16(9-12)13-7-15(8-13)10-17-11-15/h5,13H,4,6-11H2,1-3H3
InChIKeyKRMZODVSPDNJHY-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.84
Rot. Bonds1

About 5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridine

5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridine (PubChem CID 177265556) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridine
PubChem CID177265556
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)(C)C1=CCCN(C2CC3(COC3)C2)C1
InChIInChI=1S/C15H25NO/c1-14(2,3)12-5-4-6-16(9-12)13-7-15(8-13)10-17-11-15/h5,13H,4,6-11H2,1-3H3
InChIKeyKRMZODVSPDNJHY-UHFFFAOYSA-N
XLogP2.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine
CID 146536218
N-(4-tert-butylcyclohex-3-en-1-yl)-N-methyl-2-oxaspiro[3.3]heptan-6-amine
CID 177265342
4-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridine
CID 177265644
ethane;N-methyl-N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine
CID 177317114
ethane;4-methyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridine
CID 177317329
N-methyl-N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine
CID 177317115
4-methyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridine
CID 177317330

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridine (CID 177265556) is 5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridine is CC(C)(C)C1=CCCN(C2CC3(COC3)C2)C1.
What is the InChIKey of 5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is KRMZODVSPDNJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-14(2,3)12-5-4-6-16(9-12)13-7-15(8-13)10-17-11-15/h5,13H,4,6-11H2,1-3H3.
What are the key properties of 5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridine?
5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 235.37 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 177265556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).