4-ethyl-2,3,5,5,6,6-hexamethyl-1-[(2Z)-penta-2,4-dienyl]-2H-pyridine

C18H31N — CID 130445215

IUPAC4-ethyl-2,3,5,5,6,6-hexamethyl-1-[(2Z)-penta-2,4-dienyl]-2H-pyridine
SMILESC=C/C=C\CN1C(C)C(C)=C(CC)C(C)(C)C1(C)C
InChIInChI=1S/C18H31N/c1-9-11-12-13-19-15(4)14(3)16(10-2)17(5,6)18(19,7)8/h9,11-12,15H,1,10,13H2,2-8H3/b12-11-
InChIKeyLSURHDDLRBVEOO-QXMHVHEDSA-N
MW261.45 g/mol
LogP4.96
Rot. Bonds4

About 4-ethyl-2,3,5,5,6,6-hexamethyl-1-[(2Z)-penta-2,4-dienyl]-2H-pyridine

4-ethyl-2,3,5,5,6,6-hexamethyl-1-[(2Z)-penta-2,4-dienyl]-2H-pyridine (PubChem CID 130445215) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 4-ethyl-2,3,5,5,6,6-hexamethyl-1-[(2Z)-penta-2,4-dienyl]-2H-pyridine.

Molecular Properties

Compound Name4-ethyl-2,3,5,5,6,6-hexamethyl-1-[(2Z)-penta-2,4-dienyl]-2H-pyridine
PubChem CID130445215
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name4-ethyl-2,3,5,5,6,6-hexamethyl-1-[(2Z)-penta-2,4-dienyl]-2H-pyridine
SMILESC=C/C=C\CN1C(C)C(C)=C(CC)C(C)(C)C1(C)C
InChIInChI=1S/C18H31N/c1-9-11-12-13-19-15(4)14(3)16(10-2)17(5,6)18(19,7)8/h9,11-12,15H,1,10,13H2,2-8H3/b12-11-
InChIKeyLSURHDDLRBVEOO-QXMHVHEDSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3,5,5,6,6-hexamethyl-1-[(2Z)-penta-2,4-dienyl]-2H-pyridine?
The IUPAC name of 4-ethyl-2,3,5,5,6,6-hexamethyl-1-[(2Z)-penta-2,4-dienyl]-2H-pyridine (CID 130445215) is 4-ethyl-2,3,5,5,6,6-hexamethyl-1-[(2Z)-penta-2,4-dienyl]-2H-pyridine.
What is the SMILES notation for 4-ethyl-2,3,5,5,6,6-hexamethyl-1-[(2Z)-penta-2,4-dienyl]-2H-pyridine?
The canonical SMILES for 4-ethyl-2,3,5,5,6,6-hexamethyl-1-[(2Z)-penta-2,4-dienyl]-2H-pyridine is C=C/C=C\CN1C(C)C(C)=C(CC)C(C)(C)C1(C)C.
What is the InChIKey of 4-ethyl-2,3,5,5,6,6-hexamethyl-1-[(2Z)-penta-2,4-dienyl]-2H-pyridine?
The InChIKey is LSURHDDLRBVEOO-QXMHVHEDSA-N. The full InChI is InChI=1S/C18H31N/c1-9-11-12-13-19-15(4)14(3)16(10-2)17(5,6)18(19,7)8/h9,11-12,15H,1,10,13H2,2-8H3/b12-11-.
What are the key properties of 4-ethyl-2,3,5,5,6,6-hexamethyl-1-[(2Z)-penta-2,4-dienyl]-2H-pyridine?
4-ethyl-2,3,5,5,6,6-hexamethyl-1-[(2Z)-penta-2,4-dienyl]-2H-pyridine has a molecular weight of 261.45 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3,5,5,6,6-hexamethyl-1-[(2Z)-penta-2,4-dienyl]-2H-pyridine is sourced from PubChem (CID 130445215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).