5-methyl-4-(2-methylprop-1-enoxy)-1-propan-2-yl-3,6-dihydro-2H-pyridine

C13H23NO — CID 170635284

IUPAC5-methyl-4-(2-methylprop-1-enoxy)-1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)=COC1=C(C)CN(C(C)C)CC1
InChIInChI=1S/C13H23NO/c1-10(2)9-15-13-6-7-14(11(3)4)8-12(13)5/h9,11H,6-8H2,1-5H3
InChIKeyFXYPLTUHNIKQEC-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.31
Rot. Bonds3

About 5-methyl-4-(2-methylprop-1-enoxy)-1-propan-2-yl-3,6-dihydro-2H-pyridine

5-methyl-4-(2-methylprop-1-enoxy)-1-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 170635284) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 5-methyl-4-(2-methylprop-1-enoxy)-1-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-methyl-4-(2-methylprop-1-enoxy)-1-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID170635284
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name5-methyl-4-(2-methylprop-1-enoxy)-1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)=COC1=C(C)CN(C(C)C)CC1
InChIInChI=1S/C13H23NO/c1-10(2)9-15-13-6-7-14(11(3)4)8-12(13)5/h9,11H,6-8H2,1-5H3
InChIKeyFXYPLTUHNIKQEC-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

5-methyl-4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 170633792
N-tert-butyl-4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-carboxamide
CID 10705129
1-propan-2-yl-4-propan-2-ylidenepiperidine
CID 58355811
N-methyl-1-propan-2-ylpyrrolidin-3-imine
CID 129120591
(3E)-3-(methylsulfonylmethylidene)-1-propan-2-ylpyrrolidine
CID 170937703
(4Z)-5-methyl-4-[(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methylidene]-2-(propan-2-ylamino)hexanenitrile
CID 170632476
sodium (E)-methoxy-(4-oxo-1-propan-2-ylpiperidin-3-ylidene)methanolate
CID 23681093
5-propan-2-yl-2,4,6,7-tetrahydrotriazolo[4,5-c]pyridine
CID 130728343
5-propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 21057906
5-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 110456721
6,7,10,11-tetramethoxy-2-propan-2-yl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine
CID 71450218
1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanone
CID 117205955

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methylprop-1-enoxy)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-methyl-4-(2-methylprop-1-enoxy)-1-propan-2-yl-3,6-dihydro-2H-pyridine (CID 170635284) is 5-methyl-4-(2-methylprop-1-enoxy)-1-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-methyl-4-(2-methylprop-1-enoxy)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-methyl-4-(2-methylprop-1-enoxy)-1-propan-2-yl-3,6-dihydro-2H-pyridine is CC(C)=COC1=C(C)CN(C(C)C)CC1.
What is the InChIKey of 5-methyl-4-(2-methylprop-1-enoxy)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is FXYPLTUHNIKQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10(2)9-15-13-6-7-14(11(3)4)8-12(13)5/h9,11H,6-8H2,1-5H3.
What are the key properties of 5-methyl-4-(2-methylprop-1-enoxy)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
5-methyl-4-(2-methylprop-1-enoxy)-1-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 209.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methylprop-1-enoxy)-1-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 170635284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).