1-[2-(azetidin-3-ylidene)propyl]-4-tert-butyl-3,6-dihydro-2H-pyridine

C15H26N2 — CID 114460431

IUPAC1-[2-(azetidin-3-ylidene)propyl]-4-tert-butyl-3,6-dihydro-2H-pyridine
SMILESCC(CN1CC=C(C(C)(C)C)CC1)=C1CNC1
InChIInChI=1S/C15H26N2/c1-12(13-9-16-10-13)11-17-7-5-14(6-8-17)15(2,3)4/h5,16H,6-11H2,1-4H3
InChIKeyBFXYINOCQSTVDI-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.58
Rot. Bonds2

About 1-[2-(azetidin-3-ylidene)propyl]-4-tert-butyl-3,6-dihydro-2H-pyridine

1-[2-(azetidin-3-ylidene)propyl]-4-tert-butyl-3,6-dihydro-2H-pyridine (PubChem CID 114460431) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-[2-(azetidin-3-ylidene)propyl]-4-tert-butyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[2-(azetidin-3-ylidene)propyl]-4-tert-butyl-3,6-dihydro-2H-pyridine
PubChem CID114460431
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-[2-(azetidin-3-ylidene)propyl]-4-tert-butyl-3,6-dihydro-2H-pyridine
SMILESCC(CN1CC=C(C(C)(C)C)CC1)=C1CNC1
InChIInChI=1S/C15H26N2/c1-12(13-9-16-10-13)11-17-7-5-14(6-8-17)15(2,3)4/h5,16H,6-11H2,1-4H3
InChIKeyBFXYINOCQSTVDI-UHFFFAOYSA-N
XLogP2.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
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 1-[2-(azetidin-3-ylidene)propyl]-4-tert-butyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[2-(azetidin-3-ylidene)propyl]-4-tert-butyl-3,6-dihydro-2H-pyridine (CID 114460431) is 1-[2-(azetidin-3-ylidene)propyl]-4-tert-butyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[2-(azetidin-3-ylidene)propyl]-4-tert-butyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[2-(azetidin-3-ylidene)propyl]-4-tert-butyl-3,6-dihydro-2H-pyridine is CC(CN1CC=C(C(C)(C)C)CC1)=C1CNC1.
What is the InChIKey of 1-[2-(azetidin-3-ylidene)propyl]-4-tert-butyl-3,6-dihydro-2H-pyridine?
The InChIKey is BFXYINOCQSTVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12(13-9-16-10-13)11-17-7-5-14(6-8-17)15(2,3)4/h5,16H,6-11H2,1-4H3.
What are the key properties of 1-[2-(azetidin-3-ylidene)propyl]-4-tert-butyl-3,6-dihydro-2H-pyridine?
1-[2-(azetidin-3-ylidene)propyl]-4-tert-butyl-3,6-dihydro-2H-pyridine has a molecular weight of 234.39 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-ylidene)propyl]-4-tert-butyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 114460431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).