4-tert-butyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine

C12H21NO — CID 146536218

IUPAC4-tert-butyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)(C)C1=CCN(C2COC2)CC1
InChIInChI=1S/C12H21NO/c1-12(2,3)10-4-6-13(7-5-10)11-8-14-9-11/h4,11H,5-9H2,1-3H3
InChIKeyQEPOTOKVJFBCQQ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.06
Rot. Bonds1

About 4-tert-butyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine

4-tert-butyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine (PubChem CID 146536218) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-tert-butyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-tert-butyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine
PubChem CID146536218
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-tert-butyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)(C)C1=CCN(C2COC2)CC1
InChIInChI=1S/C12H21NO/c1-12(2,3)10-4-6-13(7-5-10)11-8-14-9-11/h4,11H,5-9H2,1-3H3
InChIKeyQEPOTOKVJFBCQQ-UHFFFAOYSA-N
XLogP2.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.06
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

N-[2-(cyclobuten-1-yl)ethyl]-N-propyloxetan-3-amine
CID 117816814
1-(Oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole
CID 118551783
4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine
CID 142501621
1-(oxetan-3-yl)-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 146536272
5-tert-butyl-1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridine
CID 148321483
(6R)-5-tert-butyl-1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridine
CID 153514356
(6S)-5-tert-butyl-1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridine
CID 153514358
1-(2-methoxyethyl)-6-methyl-5-(2-methylbutan-2-yl)-3,6-dihydro-2H-pyridine
CID 153621654
(6S)-5-ethyl-1-(2-methoxyethyl)-6-methyl-3,6-dihydro-2H-pyridine
CID 153621879
ethane;4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine
CID 156737443
N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]-N-methyloxetan-3-amine
CID 164769229
N-(4-tert-butylcyclohex-3-en-1-yl)-N-methyloxetan-3-amine
CID 164769252

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-tert-butyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine (CID 146536218) is 4-tert-butyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-tert-butyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-tert-butyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine is CC(C)(C)C1=CCN(C2COC2)CC1.
What is the InChIKey of 4-tert-butyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is QEPOTOKVJFBCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(2,3)10-4-6-13(7-5-10)11-8-14-9-11/h4,11H,5-9H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine?
4-tert-butyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 195.31 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 146536218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).