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

C15H27NO3 — CID 131998328

IUPACpropan-2-yl 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)OC(=O)N1CC=C(CCOC(C)(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-12(2)19-14(17)16-9-6-13(7-10-16)8-11-18-15(3,4)5/h6,12H,7-11H2,1-5H3
InChIKeyCTYJEFHPZHTOBY-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.37
Rot. Bonds4

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

propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 131998328) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID131998328
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namepropan-2-yl 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)OC(=O)N1CC=C(CCOC(C)(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-12(2)19-14(17)16-9-6-13(7-10-16)8-11-18-15(3,4)5/h6,12H,7-11H2,1-5H3
InChIKeyCTYJEFHPZHTOBY-UHFFFAOYSA-N
XLogP3.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 131998328) is propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)OC(=O)N1CC=C(CCOC(C)(C)C)CC1.
What is the InChIKey of propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is CTYJEFHPZHTOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-12(2)19-14(17)16-9-6-13(7-10-16)8-11-18-15(3,4)5/h6,12H,7-11H2,1-5H3.
What are the key properties of propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 131998328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).