3-methyl-6-[(4E)-nona-2,4,6-trien-4-yl]-3,4-dihydropyridine

C15H21N — CID 90880500

IUPAC3-methyl-6-[(4E)-nona-2,4,6-trien-4-yl]-3,4-dihydropyridine
SMILESCC=C/C(=C\C=CCC)C1=CCC(C)C=N1
InChIInChI=1S/C15H21N/c1-4-6-7-9-14(8-5-2)15-11-10-13(3)12-16-15/h5-9,11-13H,4,10H2,1-3H3/b7-6?,8-5?,14-9+
InChIKeyGYKANFSZNWCQLG-XFHJAWRFSA-N
MW215.34 g/mol
LogP4.45
Rot. Bonds4

About 3-methyl-6-[(4E)-nona-2,4,6-trien-4-yl]-3,4-dihydropyridine

3-methyl-6-[(4E)-nona-2,4,6-trien-4-yl]-3,4-dihydropyridine (PubChem CID 90880500) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-methyl-6-[(4E)-nona-2,4,6-trien-4-yl]-3,4-dihydropyridine.

Molecular Properties

Compound Name3-methyl-6-[(4E)-nona-2,4,6-trien-4-yl]-3,4-dihydropyridine
PubChem CID90880500
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name3-methyl-6-[(4E)-nona-2,4,6-trien-4-yl]-3,4-dihydropyridine
SMILESCC=C/C(=C\C=CCC)C1=CCC(C)C=N1
InChIInChI=1S/C15H21N/c1-4-6-7-9-14(8-5-2)15-11-10-13(3)12-16-15/h5-9,11-13H,4,10H2,1-3H3/b7-6?,8-5?,14-9+
InChIKeyGYKANFSZNWCQLG-XFHJAWRFSA-N
XLogP4.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.45
H-Bond Donors ≤ 50
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 3-methyl-6-[(4E)-nona-2,4,6-trien-4-yl]-3,4-dihydropyridine?
The IUPAC name of 3-methyl-6-[(4E)-nona-2,4,6-trien-4-yl]-3,4-dihydropyridine (CID 90880500) is 3-methyl-6-[(4E)-nona-2,4,6-trien-4-yl]-3,4-dihydropyridine.
What is the SMILES notation for 3-methyl-6-[(4E)-nona-2,4,6-trien-4-yl]-3,4-dihydropyridine?
The canonical SMILES for 3-methyl-6-[(4E)-nona-2,4,6-trien-4-yl]-3,4-dihydropyridine is CC=C/C(=C\C=CCC)C1=CCC(C)C=N1.
What is the InChIKey of 3-methyl-6-[(4E)-nona-2,4,6-trien-4-yl]-3,4-dihydropyridine?
The InChIKey is GYKANFSZNWCQLG-XFHJAWRFSA-N. The full InChI is InChI=1S/C15H21N/c1-4-6-7-9-14(8-5-2)15-11-10-13(3)12-16-15/h5-9,11-13H,4,10H2,1-3H3/b7-6?,8-5?,14-9+.
What are the key properties of 3-methyl-6-[(4E)-nona-2,4,6-trien-4-yl]-3,4-dihydropyridine?
3-methyl-6-[(4E)-nona-2,4,6-trien-4-yl]-3,4-dihydropyridine has a molecular weight of 215.34 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(4E)-nona-2,4,6-trien-4-yl]-3,4-dihydropyridine is sourced from PubChem (CID 90880500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).