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

C11H19NO — CID 146536272

IUPAC1-(oxetan-3-yl)-4-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=CCN(C2COC2)CC1
InChIInChI=1S/C11H19NO/c1-9(2)10-3-5-12(6-4-10)11-7-13-8-11/h3,9,11H,4-8H2,1-2H3
InChIKeyGFXVIOSNUNYSEG-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.67
Rot. Bonds2

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

1-(oxetan-3-yl)-4-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 146536272) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(oxetan-3-yl)-4-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(oxetan-3-yl)-4-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID146536272
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(oxetan-3-yl)-4-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=CCN(C2COC2)CC1
InChIInChI=1S/C11H19NO/c1-9(2)10-3-5-12(6-4-10)11-7-13-8-11/h3,9,11H,4-8H2,1-2H3
InChIKeyGFXVIOSNUNYSEG-UHFFFAOYSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.67
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
3-methoxy-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 117848964
1-(Oxetan-3-yl)-3-propan-2-yl-2,5-dihydropyrrole
CID 118551783
4-[(2S)-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]morpholine
CID 130199783
4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine
CID 142501621
2-methoxy-N-methyl-N-[(6-methylcyclohexen-1-yl)methyl]ethanamine
CID 145141285
4-tert-butyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine
CID 146536218
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

Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-yl)-4-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(oxetan-3-yl)-4-propan-2-yl-3,6-dihydro-2H-pyridine (CID 146536272) is 1-(oxetan-3-yl)-4-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(oxetan-3-yl)-4-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(oxetan-3-yl)-4-propan-2-yl-3,6-dihydro-2H-pyridine is CC(C)C1=CCN(C2COC2)CC1.
What is the InChIKey of 1-(oxetan-3-yl)-4-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is GFXVIOSNUNYSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(2)10-3-5-12(6-4-10)11-7-13-8-11/h3,9,11H,4-8H2,1-2H3.
What are the key properties of 1-(oxetan-3-yl)-4-propan-2-yl-3,6-dihydro-2H-pyridine?
1-(oxetan-3-yl)-4-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 181.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-yl)-4-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 146536272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).