2-hexa-2,4-dien-2-yl-1,5-dimethyl-4H-pyridine

C13H19N — CID 91138583

IUPAC2-hexa-2,4-dien-2-yl-1,5-dimethyl-4H-pyridine
SMILESCC=CC=C(C)C1=CCC(C)=CN1C
InChIInChI=1S/C13H19N/c1-5-6-7-12(3)13-9-8-11(2)10-14(13)4/h5-7,9-10H,8H2,1-4H3
InChIKeyOKZVAIWSFBABNC-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.63
Rot. Bonds2

About 2-hexa-2,4-dien-2-yl-1,5-dimethyl-4H-pyridine

2-hexa-2,4-dien-2-yl-1,5-dimethyl-4H-pyridine (PubChem CID 91138583) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-hexa-2,4-dien-2-yl-1,5-dimethyl-4H-pyridine.

Molecular Properties

Compound Name2-hexa-2,4-dien-2-yl-1,5-dimethyl-4H-pyridine
PubChem CID91138583
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-hexa-2,4-dien-2-yl-1,5-dimethyl-4H-pyridine
SMILESCC=CC=C(C)C1=CCC(C)=CN1C
InChIInChI=1S/C13H19N/c1-5-6-7-12(3)13-9-8-11(2)10-14(13)4/h5-7,9-10H,8H2,1-4H3
InChIKeyOKZVAIWSFBABNC-UHFFFAOYSA-N
XLogP3.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.63
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 2-hexa-2,4-dien-2-yl-1,5-dimethyl-4H-pyridine?
The IUPAC name of 2-hexa-2,4-dien-2-yl-1,5-dimethyl-4H-pyridine (CID 91138583) is 2-hexa-2,4-dien-2-yl-1,5-dimethyl-4H-pyridine.
What is the SMILES notation for 2-hexa-2,4-dien-2-yl-1,5-dimethyl-4H-pyridine?
The canonical SMILES for 2-hexa-2,4-dien-2-yl-1,5-dimethyl-4H-pyridine is CC=CC=C(C)C1=CCC(C)=CN1C.
What is the InChIKey of 2-hexa-2,4-dien-2-yl-1,5-dimethyl-4H-pyridine?
The InChIKey is OKZVAIWSFBABNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-5-6-7-12(3)13-9-8-11(2)10-14(13)4/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 2-hexa-2,4-dien-2-yl-1,5-dimethyl-4H-pyridine?
2-hexa-2,4-dien-2-yl-1,5-dimethyl-4H-pyridine has a molecular weight of 189.30 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexa-2,4-dien-2-yl-1,5-dimethyl-4H-pyridine is sourced from PubChem (CID 91138583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).