5-ethyl-1-[(2-methylpropan-2-yl)oxymethyl]-3,6-dihydro-2H-pyridine

C12H23NO — CID 123964482

IUPAC5-ethyl-1-[(2-methylpropan-2-yl)oxymethyl]-3,6-dihydro-2H-pyridine
SMILESCCC1=CCCN(COC(C)(C)C)C1
InChIInChI=1S/C12H23NO/c1-5-11-7-6-8-13(9-11)10-14-12(2,3)4/h7H,5-6,8-10H2,1-4H3
InChIKeyFGXQYAUBICOAEX-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.80
Rot. Bonds3

About 5-ethyl-1-[(2-methylpropan-2-yl)oxymethyl]-3,6-dihydro-2H-pyridine

5-ethyl-1-[(2-methylpropan-2-yl)oxymethyl]-3,6-dihydro-2H-pyridine (PubChem CID 123964482) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 5-ethyl-1-[(2-methylpropan-2-yl)oxymethyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-ethyl-1-[(2-methylpropan-2-yl)oxymethyl]-3,6-dihydro-2H-pyridine
PubChem CID123964482
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name5-ethyl-1-[(2-methylpropan-2-yl)oxymethyl]-3,6-dihydro-2H-pyridine
SMILESCCC1=CCCN(COC(C)(C)C)C1
InChIInChI=1S/C12H23NO/c1-5-11-7-6-8-13(9-11)10-14-12(2,3)4/h7H,5-6,8-10H2,1-4H3
InChIKeyFGXQYAUBICOAEX-UHFFFAOYSA-N
XLogP2.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.80
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-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridine
CID 70233571
1-(2-methoxyethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 89286486
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine
CID 126701361
3-Butyl-6-propan-2-yl-2,4-dihydro-1,3-oxazine
CID 141207116
1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine;propane
CID 145137534
5-[(1Z)-buta-1,3-dienyl]-6-methyl-3-prop-2-enyl-2,4-dihydro-1,3-oxazine
CID 152805425
ethane;1-(2-methoxyethoxymethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 163257855
6-Methyl-3-methylidene-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-2,4-dihydropyridine
CID 166963522
(2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine
CID 143043912
1-(3-methoxy-2,2-dimethylpropyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 145137535
1-(2-methoxyethoxymethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 163257856

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(2-methylpropan-2-yl)oxymethyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-ethyl-1-[(2-methylpropan-2-yl)oxymethyl]-3,6-dihydro-2H-pyridine (CID 123964482) is 5-ethyl-1-[(2-methylpropan-2-yl)oxymethyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-ethyl-1-[(2-methylpropan-2-yl)oxymethyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-ethyl-1-[(2-methylpropan-2-yl)oxymethyl]-3,6-dihydro-2H-pyridine is CCC1=CCCN(COC(C)(C)C)C1.
What is the InChIKey of 5-ethyl-1-[(2-methylpropan-2-yl)oxymethyl]-3,6-dihydro-2H-pyridine?
The InChIKey is FGXQYAUBICOAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-11-7-6-8-13(9-11)10-14-12(2,3)4/h7H,5-6,8-10H2,1-4H3.
What are the key properties of 5-ethyl-1-[(2-methylpropan-2-yl)oxymethyl]-3,6-dihydro-2H-pyridine?
5-ethyl-1-[(2-methylpropan-2-yl)oxymethyl]-3,6-dihydro-2H-pyridine has a molecular weight of 197.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(2-methylpropan-2-yl)oxymethyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 123964482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).