4-[(1E,3E)-5,5-dimethylhexa-1,3-dienyl]pyridine

C13H17N — CID 11586416

IUPAC4-[(1E,3E)-5,5-dimethylhexa-1,3-dienyl]pyridine
SMILESCC(C)(C)/C=C/C=C/c1ccncc1
InChIInChI=1S/C13H17N/c1-13(2,3)9-5-4-6-12-7-10-14-11-8-12/h4-11H,1-3H3/b6-4+,9-5+
InChIKeyRCTVYGRDSPWOIF-REZHQCRGSA-N
MW187.29 g/mol
LogP3.70
Rot. Bonds2

About 4-[(1E,3E)-5,5-dimethylhexa-1,3-dienyl]pyridine

4-[(1E,3E)-5,5-dimethylhexa-1,3-dienyl]pyridine (PubChem CID 11586416) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 4-[(1E,3E)-5,5-dimethylhexa-1,3-dienyl]pyridine.

Molecular Properties

Compound Name4-[(1E,3E)-5,5-dimethylhexa-1,3-dienyl]pyridine
PubChem CID11586416
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name4-[(1E,3E)-5,5-dimethylhexa-1,3-dienyl]pyridine
SMILESCC(C)(C)/C=C/C=C/c1ccncc1
InChIInChI=1S/C13H17N/c1-13(2,3)9-5-4-6-12-7-10-14-11-8-12/h4-11H,1-3H3/b6-4+,9-5+
InChIKeyRCTVYGRDSPWOIF-REZHQCRGSA-N
XLogP3.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-3,3-dimethylbut-1-enyl]pyridine
CID 59172126
4-[(1E,3E,5E)-6-pyridin-4-ylhexa-1,3,5-trienyl]pyridine
CID 139077080
(1E,3E)-4-pyridin-4-ylbuta-1,3-dien-1-amine
CID 121226828
(1E,3E)-N,N-dimethyl-4-pyridin-4-ylbuta-1,3-dien-1-amine
CID 121221564
(Z)-3-pyridin-4-ylprop-2-enal
CID 99864035
[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene;bis(yttrium)
CID 59968237
(E)-4,4-dimethyl-1-pyridin-4-ylpent-1-en-3-one;hydrochloride
CID 6446395
4-[2-[2,4,5-tris(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine
CID 86183195
4-(2-phenylethenyl)pyridine;hydrochloride
CID 71352999
4,4-dimethylpent-2-enoic acid;5-phenylpenta-2,4-dienoic acid
CID 87778238
1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene
CID 22975197
3-(4-phenylbuta-1,3-dienyl)pyridine
CID 71359861

Frequently Asked Questions

What is the IUPAC name of 4-[(1E,3E)-5,5-dimethylhexa-1,3-dienyl]pyridine?
The IUPAC name of 4-[(1E,3E)-5,5-dimethylhexa-1,3-dienyl]pyridine (CID 11586416) is 4-[(1E,3E)-5,5-dimethylhexa-1,3-dienyl]pyridine.
What is the SMILES notation for 4-[(1E,3E)-5,5-dimethylhexa-1,3-dienyl]pyridine?
The canonical SMILES for 4-[(1E,3E)-5,5-dimethylhexa-1,3-dienyl]pyridine is CC(C)(C)/C=C/C=C/c1ccncc1.
What is the InChIKey of 4-[(1E,3E)-5,5-dimethylhexa-1,3-dienyl]pyridine?
The InChIKey is RCTVYGRDSPWOIF-REZHQCRGSA-N. The full InChI is InChI=1S/C13H17N/c1-13(2,3)9-5-4-6-12-7-10-14-11-8-12/h4-11H,1-3H3/b6-4+,9-5+.
What are the key properties of 4-[(1E,3E)-5,5-dimethylhexa-1,3-dienyl]pyridine?
4-[(1E,3E)-5,5-dimethylhexa-1,3-dienyl]pyridine has a molecular weight of 187.29 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3E)-5,5-dimethylhexa-1,3-dienyl]pyridine is sourced from PubChem (CID 11586416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).