4-(5-ethenyl-11-ethyl-8-methyltrideca-2,4-dien-2-yl)-1,2,3,6-tetrahydropyridine

C23H39N — CID 123625096

IUPAC4-(5-ethenyl-11-ethyl-8-methyltrideca-2,4-dien-2-yl)-1,2,3,6-tetrahydropyridine
SMILESC=CC(=CC=C(C)C1=CCNCC1)CCC(C)CCC(CC)CC
InChIInChI=1S/C23H39N/c1-6-21(7-2)12-9-19(4)10-13-22(8-3)14-11-20(5)23-15-17-24-18-16-23/h8,11,14-15,19,21,24H,3,6-7,9-10,12-13,16-18H2,1-2,4-5H3
InChIKeyLYDKXUCIZZRRTB-UHFFFAOYSA-N
MW329.57 g/mol
LogP6.60
Rot. Bonds11

About 4-(5-ethenyl-11-ethyl-8-methyltrideca-2,4-dien-2-yl)-1,2,3,6-tetrahydropyridine

4-(5-ethenyl-11-ethyl-8-methyltrideca-2,4-dien-2-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 123625096) has the molecular formula C23H39N and a molecular weight of 329.57 g/mol. Its IUPAC name is 4-(5-ethenyl-11-ethyl-8-methyltrideca-2,4-dien-2-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(5-ethenyl-11-ethyl-8-methyltrideca-2,4-dien-2-yl)-1,2,3,6-tetrahydropyridine
PubChem CID123625096
Molecular FormulaC23H39N
Molecular Weight329.57 g/mol
Exact Mass329.31
IUPAC Name4-(5-ethenyl-11-ethyl-8-methyltrideca-2,4-dien-2-yl)-1,2,3,6-tetrahydropyridine
SMILESC=CC(=CC=C(C)C1=CCNCC1)CCC(C)CCC(CC)CC
InChIInChI=1S/C23H39N/c1-6-21(7-2)12-9-19(4)10-13-22(8-3)14-11-20(5)23-15-17-24-18-16-23/h8,11,14-15,19,21,24H,3,6-7,9-10,12-13,16-18H2,1-2,4-5H3
InChIKeyLYDKXUCIZZRRTB-UHFFFAOYSA-N
XLogP6.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.57
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethenyl-11-ethyl-8-methyltrideca-2,4-dien-2-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(5-ethenyl-11-ethyl-8-methyltrideca-2,4-dien-2-yl)-1,2,3,6-tetrahydropyridine (CID 123625096) is 4-(5-ethenyl-11-ethyl-8-methyltrideca-2,4-dien-2-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(5-ethenyl-11-ethyl-8-methyltrideca-2,4-dien-2-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(5-ethenyl-11-ethyl-8-methyltrideca-2,4-dien-2-yl)-1,2,3,6-tetrahydropyridine is C=CC(=CC=C(C)C1=CCNCC1)CCC(C)CCC(CC)CC.
What is the InChIKey of 4-(5-ethenyl-11-ethyl-8-methyltrideca-2,4-dien-2-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is LYDKXUCIZZRRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N/c1-6-21(7-2)12-9-19(4)10-13-22(8-3)14-11-20(5)23-15-17-24-18-16-23/h8,11,14-15,19,21,24H,3,6-7,9-10,12-13,16-18H2,1-2,4-5H3.
What are the key properties of 4-(5-ethenyl-11-ethyl-8-methyltrideca-2,4-dien-2-yl)-1,2,3,6-tetrahydropyridine?
4-(5-ethenyl-11-ethyl-8-methyltrideca-2,4-dien-2-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 329.57 g/mol, XLogP of 6.60, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethenyl-11-ethyl-8-methyltrideca-2,4-dien-2-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 123625096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).