3-[(3E)-2,3-dimethylhexa-3,5-dien-2-yl]-2-methylpyridine

C14H19N — CID 167164381

IUPAC3-[(3E)-2,3-dimethylhexa-3,5-dien-2-yl]-2-methylpyridine
SMILESC=C/C=C(\C)C(C)(C)c1cccnc1C
InChIInChI=1S/C14H19N/c1-6-8-11(2)14(4,5)13-9-7-10-15-12(13)3/h6-10H,1H2,2-5H3/b11-8+
InChIKeyQZYXGHOOEXRERQ-DHZHZOJOSA-N
MW201.31 g/mol
LogP3.80
Rot. Bonds3

About 3-[(3E)-2,3-dimethylhexa-3,5-dien-2-yl]-2-methylpyridine

3-[(3E)-2,3-dimethylhexa-3,5-dien-2-yl]-2-methylpyridine (PubChem CID 167164381) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-[(3E)-2,3-dimethylhexa-3,5-dien-2-yl]-2-methylpyridine.

Molecular Properties

Compound Name3-[(3E)-2,3-dimethylhexa-3,5-dien-2-yl]-2-methylpyridine
PubChem CID167164381
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name3-[(3E)-2,3-dimethylhexa-3,5-dien-2-yl]-2-methylpyridine
SMILESC=C/C=C(\C)C(C)(C)c1cccnc1C
InChIInChI=1S/C14H19N/c1-6-8-11(2)14(4,5)13-9-7-10-15-12(13)3/h6-10H,1H2,2-5H3/b11-8+
InChIKeyQZYXGHOOEXRERQ-DHZHZOJOSA-N
XLogP3.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.80
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-[(3E)-2,3-dimethylhexa-3,5-dien-2-yl]-2-methylpyridine?
The IUPAC name of 3-[(3E)-2,3-dimethylhexa-3,5-dien-2-yl]-2-methylpyridine (CID 167164381) is 3-[(3E)-2,3-dimethylhexa-3,5-dien-2-yl]-2-methylpyridine.
What is the SMILES notation for 3-[(3E)-2,3-dimethylhexa-3,5-dien-2-yl]-2-methylpyridine?
The canonical SMILES for 3-[(3E)-2,3-dimethylhexa-3,5-dien-2-yl]-2-methylpyridine is C=C/C=C(\C)C(C)(C)c1cccnc1C.
What is the InChIKey of 3-[(3E)-2,3-dimethylhexa-3,5-dien-2-yl]-2-methylpyridine?
The InChIKey is QZYXGHOOEXRERQ-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H19N/c1-6-8-11(2)14(4,5)13-9-7-10-15-12(13)3/h6-10H,1H2,2-5H3/b11-8+.
What are the key properties of 3-[(3E)-2,3-dimethylhexa-3,5-dien-2-yl]-2-methylpyridine?
3-[(3E)-2,3-dimethylhexa-3,5-dien-2-yl]-2-methylpyridine has a molecular weight of 201.31 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E)-2,3-dimethylhexa-3,5-dien-2-yl]-2-methylpyridine is sourced from PubChem (CID 167164381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).