6-[5-[(10Z)-4-ethylcycloundeca-2,10-dien-1-yl]hexa-1,5-dien-2-yl]-5-methyl-3,4-dihydropyridine

C25H37N — CID 139563387

IUPAC6-[5-[(10Z)-4-ethylcycloundeca-2,10-dien-1-yl]hexa-1,5-dien-2-yl]-5-methyl-3,4-dihydropyridine
SMILESC=C(CCC(=C)C1C=CC(CC)CCCCC/C=C\1)C1=C(C)CCC=N1
InChIInChI=1S/C25H37N/c1-5-23-13-9-7-6-8-10-14-24(18-17-23)20(2)15-16-22(4)25-21(3)12-11-19-26-25/h10,14,17-19,23-24H,2,4-9,11-13,15-16H2,1,3H3/b14-10-,18-17?
InChIKeyBSLBOYSBHDVECL-ZJXOLZOBSA-N
MW351.58 g/mol
LogP7.74
Rot. Bonds6

About 6-[5-[(10Z)-4-ethylcycloundeca-2,10-dien-1-yl]hexa-1,5-dien-2-yl]-5-methyl-3,4-dihydropyridine

6-[5-[(10Z)-4-ethylcycloundeca-2,10-dien-1-yl]hexa-1,5-dien-2-yl]-5-methyl-3,4-dihydropyridine (PubChem CID 139563387) has the molecular formula C25H37N and a molecular weight of 351.58 g/mol. Its IUPAC name is 6-[5-[(10Z)-4-ethylcycloundeca-2,10-dien-1-yl]hexa-1,5-dien-2-yl]-5-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name6-[5-[(10Z)-4-ethylcycloundeca-2,10-dien-1-yl]hexa-1,5-dien-2-yl]-5-methyl-3,4-dihydropyridine
PubChem CID139563387
Molecular FormulaC25H37N
Molecular Weight351.58 g/mol
Exact Mass351.29
IUPAC Name6-[5-[(10Z)-4-ethylcycloundeca-2,10-dien-1-yl]hexa-1,5-dien-2-yl]-5-methyl-3,4-dihydropyridine
SMILESC=C(CCC(=C)C1C=CC(CC)CCCCC/C=C\1)C1=C(C)CCC=N1
InChIInChI=1S/C25H37N/c1-5-23-13-9-7-6-8-10-14-24(18-17-23)20(2)15-16-22(4)25-21(3)12-11-19-26-25/h10,14,17-19,23-24H,2,4-9,11-13,15-16H2,1,3H3/b14-10-,18-17?
InChIKeyBSLBOYSBHDVECL-ZJXOLZOBSA-N
XLogP7.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 57.74
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 6-[5-[(10Z)-4-ethylcycloundeca-2,10-dien-1-yl]hexa-1,5-dien-2-yl]-5-methyl-3,4-dihydropyridine?
The IUPAC name of 6-[5-[(10Z)-4-ethylcycloundeca-2,10-dien-1-yl]hexa-1,5-dien-2-yl]-5-methyl-3,4-dihydropyridine (CID 139563387) is 6-[5-[(10Z)-4-ethylcycloundeca-2,10-dien-1-yl]hexa-1,5-dien-2-yl]-5-methyl-3,4-dihydropyridine.
What is the SMILES notation for 6-[5-[(10Z)-4-ethylcycloundeca-2,10-dien-1-yl]hexa-1,5-dien-2-yl]-5-methyl-3,4-dihydropyridine?
The canonical SMILES for 6-[5-[(10Z)-4-ethylcycloundeca-2,10-dien-1-yl]hexa-1,5-dien-2-yl]-5-methyl-3,4-dihydropyridine is C=C(CCC(=C)C1C=CC(CC)CCCCC/C=C\1)C1=C(C)CCC=N1.
What is the InChIKey of 6-[5-[(10Z)-4-ethylcycloundeca-2,10-dien-1-yl]hexa-1,5-dien-2-yl]-5-methyl-3,4-dihydropyridine?
The InChIKey is BSLBOYSBHDVECL-ZJXOLZOBSA-N. The full InChI is InChI=1S/C25H37N/c1-5-23-13-9-7-6-8-10-14-24(18-17-23)20(2)15-16-22(4)25-21(3)12-11-19-26-25/h10,14,17-19,23-24H,2,4-9,11-13,15-16H2,1,3H3/b14-10-,18-17?.
What are the key properties of 6-[5-[(10Z)-4-ethylcycloundeca-2,10-dien-1-yl]hexa-1,5-dien-2-yl]-5-methyl-3,4-dihydropyridine?
6-[5-[(10Z)-4-ethylcycloundeca-2,10-dien-1-yl]hexa-1,5-dien-2-yl]-5-methyl-3,4-dihydropyridine has a molecular weight of 351.58 g/mol, XLogP of 7.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(10Z)-4-ethylcycloundeca-2,10-dien-1-yl]hexa-1,5-dien-2-yl]-5-methyl-3,4-dihydropyridine is sourced from PubChem (CID 139563387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).