5-ethyl-1,2-dimethyl-6-[(1Z,4E)-octa-1,4-dienyl]-3,4-dihydro-2H-pyridine

C17H29N — CID 155456119

IUPAC5-ethyl-1,2-dimethyl-6-[(1Z,4E)-octa-1,4-dienyl]-3,4-dihydro-2H-pyridine
SMILESCCC/C=C/C/C=C\C1=C(CC)CCC(C)N1C
InChIInChI=1S/C17H29N/c1-5-7-8-9-10-11-12-17-16(6-2)14-13-15(3)18(17)4/h8-9,11-12,15H,5-7,10,13-14H2,1-4H3/b9-8+,12-11-
InChIKeyKKROQBNOWKLTJD-UPDVNHGHSA-N
MW247.43 g/mol
LogP5.07
Rot. Bonds6

About 5-ethyl-1,2-dimethyl-6-[(1Z,4E)-octa-1,4-dienyl]-3,4-dihydro-2H-pyridine

5-ethyl-1,2-dimethyl-6-[(1Z,4E)-octa-1,4-dienyl]-3,4-dihydro-2H-pyridine (PubChem CID 155456119) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 5-ethyl-1,2-dimethyl-6-[(1Z,4E)-octa-1,4-dienyl]-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-ethyl-1,2-dimethyl-6-[(1Z,4E)-octa-1,4-dienyl]-3,4-dihydro-2H-pyridine
PubChem CID155456119
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name5-ethyl-1,2-dimethyl-6-[(1Z,4E)-octa-1,4-dienyl]-3,4-dihydro-2H-pyridine
SMILESCCC/C=C/C/C=C\C1=C(CC)CCC(C)N1C
InChIInChI=1S/C17H29N/c1-5-7-8-9-10-11-12-17-16(6-2)14-13-15(3)18(17)4/h8-9,11-12,15H,5-7,10,13-14H2,1-4H3/b9-8+,12-11-
InChIKeyKKROQBNOWKLTJD-UPDVNHGHSA-N
XLogP5.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5-ethyl-1,2-dimethyl-6-[(1Z,4E)-octa-1,4-dienyl]-3,4-dihydro-2H-pyridine?
The IUPAC name of 5-ethyl-1,2-dimethyl-6-[(1Z,4E)-octa-1,4-dienyl]-3,4-dihydro-2H-pyridine (CID 155456119) is 5-ethyl-1,2-dimethyl-6-[(1Z,4E)-octa-1,4-dienyl]-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 5-ethyl-1,2-dimethyl-6-[(1Z,4E)-octa-1,4-dienyl]-3,4-dihydro-2H-pyridine?
The canonical SMILES for 5-ethyl-1,2-dimethyl-6-[(1Z,4E)-octa-1,4-dienyl]-3,4-dihydro-2H-pyridine is CCC/C=C/C/C=C\C1=C(CC)CCC(C)N1C.
What is the InChIKey of 5-ethyl-1,2-dimethyl-6-[(1Z,4E)-octa-1,4-dienyl]-3,4-dihydro-2H-pyridine?
The InChIKey is KKROQBNOWKLTJD-UPDVNHGHSA-N. The full InChI is InChI=1S/C17H29N/c1-5-7-8-9-10-11-12-17-16(6-2)14-13-15(3)18(17)4/h8-9,11-12,15H,5-7,10,13-14H2,1-4H3/b9-8+,12-11-.
What are the key properties of 5-ethyl-1,2-dimethyl-6-[(1Z,4E)-octa-1,4-dienyl]-3,4-dihydro-2H-pyridine?
5-ethyl-1,2-dimethyl-6-[(1Z,4E)-octa-1,4-dienyl]-3,4-dihydro-2H-pyridine has a molecular weight of 247.43 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,2-dimethyl-6-[(1Z,4E)-octa-1,4-dienyl]-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 155456119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).