2-hex-5-enyl-2,6-dimethyl-1H-pyridine

C13H21N — CID 23466889

IUPAC2-hex-5-enyl-2,6-dimethyl-1H-pyridine
SMILESC=CCCCCC1(C)C=CC=C(C)N1
InChIInChI=1S/C13H21N/c1-4-5-6-7-10-13(3)11-8-9-12(2)14-13/h4,8-9,11,14H,1,5-7,10H2,2-3H3
InChIKeyRHYHFDMXNVOJCP-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.55
Rot. Bonds5

About 2-hex-5-enyl-2,6-dimethyl-1H-pyridine

2-hex-5-enyl-2,6-dimethyl-1H-pyridine (PubChem CID 23466889) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-hex-5-enyl-2,6-dimethyl-1H-pyridine.

Molecular Properties

Compound Name2-hex-5-enyl-2,6-dimethyl-1H-pyridine
PubChem CID23466889
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-hex-5-enyl-2,6-dimethyl-1H-pyridine
SMILESC=CCCCCC1(C)C=CC=C(C)N1
InChIInChI=1S/C13H21N/c1-4-5-6-7-10-13(3)11-8-9-12(2)14-13/h4,8-9,11,14H,1,5-7,10H2,2-3H3
InChIKeyRHYHFDMXNVOJCP-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hex-5-enyl-2,6-dimethyl-1H-pyridine?
The IUPAC name of 2-hex-5-enyl-2,6-dimethyl-1H-pyridine (CID 23466889) is 2-hex-5-enyl-2,6-dimethyl-1H-pyridine.
What is the SMILES notation for 2-hex-5-enyl-2,6-dimethyl-1H-pyridine?
The canonical SMILES for 2-hex-5-enyl-2,6-dimethyl-1H-pyridine is C=CCCCCC1(C)C=CC=C(C)N1.
What is the InChIKey of 2-hex-5-enyl-2,6-dimethyl-1H-pyridine?
The InChIKey is RHYHFDMXNVOJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-5-6-7-10-13(3)11-8-9-12(2)14-13/h4,8-9,11,14H,1,5-7,10H2,2-3H3.
What are the key properties of 2-hex-5-enyl-2,6-dimethyl-1H-pyridine?
2-hex-5-enyl-2,6-dimethyl-1H-pyridine has a molecular weight of 191.32 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-5-enyl-2,6-dimethyl-1H-pyridine is sourced from PubChem (CID 23466889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).