4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine

C12H23NO — CID 126701361

IUPAC4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(CCOC(C)(C)C)CC1
InChIInChI=1S/C12H23NO/c1-11-5-7-13(8-6-11)9-10-14-12(2,3)4/h5H,6-10H2,1-4H3
InChIKeyBTGCIFYOGCAQAV-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.45
Rot. Bonds3

About 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine

4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine (PubChem CID 126701361) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine
PubChem CID126701361
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(CCOC(C)(C)C)CC1
InChIInChI=1S/C12H23NO/c1-11-5-7-13(8-6-11)9-10-14-12(2,3)4/h5H,6-10H2,1-4H3
InChIKeyBTGCIFYOGCAQAV-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine (CID 126701361) is 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine is CC1=CCN(CCOC(C)(C)C)CC1.
What is the InChIKey of 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine?
The InChIKey is BTGCIFYOGCAQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11-5-7-13(8-6-11)9-10-14-12(2,3)4/h5H,6-10H2,1-4H3.
What are the key properties of 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine?
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine has a molecular weight of 197.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 126701361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).