3,3-dimethyl-2-nona-3,5,7-trienyl-2H-pyridine

C16H23N — CID 123786728

IUPAC3,3-dimethyl-2-nona-3,5,7-trienyl-2H-pyridine
SMILESCC=CC=CC=CCCC1N=CC=CC1(C)C
InChIInChI=1S/C16H23N/c1-4-5-6-7-8-9-10-12-15-16(2,3)13-11-14-17-15/h4-9,11,13-15H,10,12H2,1-3H3
InChIKeyHUIBJZHEICERCJ-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.49
Rot. Bonds5

About 3,3-dimethyl-2-nona-3,5,7-trienyl-2H-pyridine

3,3-dimethyl-2-nona-3,5,7-trienyl-2H-pyridine (PubChem CID 123786728) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 3,3-dimethyl-2-nona-3,5,7-trienyl-2H-pyridine.

Molecular Properties

Compound Name3,3-dimethyl-2-nona-3,5,7-trienyl-2H-pyridine
PubChem CID123786728
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name3,3-dimethyl-2-nona-3,5,7-trienyl-2H-pyridine
SMILESCC=CC=CC=CCCC1N=CC=CC1(C)C
InChIInChI=1S/C16H23N/c1-4-5-6-7-8-9-10-12-15-16(2,3)13-11-14-17-15/h4-9,11,13-15H,10,12H2,1-3H3
InChIKeyHUIBJZHEICERCJ-UHFFFAOYSA-N
XLogP4.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.49
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 3,3-dimethyl-2-nona-3,5,7-trienyl-2H-pyridine?
The IUPAC name of 3,3-dimethyl-2-nona-3,5,7-trienyl-2H-pyridine (CID 123786728) is 3,3-dimethyl-2-nona-3,5,7-trienyl-2H-pyridine.
What is the SMILES notation for 3,3-dimethyl-2-nona-3,5,7-trienyl-2H-pyridine?
The canonical SMILES for 3,3-dimethyl-2-nona-3,5,7-trienyl-2H-pyridine is CC=CC=CC=CCCC1N=CC=CC1(C)C.
What is the InChIKey of 3,3-dimethyl-2-nona-3,5,7-trienyl-2H-pyridine?
The InChIKey is HUIBJZHEICERCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-4-5-6-7-8-9-10-12-15-16(2,3)13-11-14-17-15/h4-9,11,13-15H,10,12H2,1-3H3.
What are the key properties of 3,3-dimethyl-2-nona-3,5,7-trienyl-2H-pyridine?
3,3-dimethyl-2-nona-3,5,7-trienyl-2H-pyridine has a molecular weight of 229.37 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-nona-3,5,7-trienyl-2H-pyridine is sourced from PubChem (CID 123786728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).