4-[(1Z)-buta-1,3-dienyl]-3-(3-methylbutyl)pyridine

C14H19N — CID 126703741

IUPAC4-[(1Z)-buta-1,3-dienyl]-3-(3-methylbutyl)pyridine
SMILESC=C/C=C\c1ccncc1CCC(C)C
InChIInChI=1S/C14H19N/c1-4-5-6-13-9-10-15-11-14(13)8-7-12(2)3/h4-6,9-12H,1,7-8H2,2-3H3/b6-5-
InChIKeyDFTWTUHMGCKDIY-WAYWQWQTSA-N
MW201.31 g/mol
LogP3.87
Rot. Bonds5

About 4-[(1Z)-buta-1,3-dienyl]-3-(3-methylbutyl)pyridine

4-[(1Z)-buta-1,3-dienyl]-3-(3-methylbutyl)pyridine (PubChem CID 126703741) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-[(1Z)-buta-1,3-dienyl]-3-(3-methylbutyl)pyridine.

Molecular Properties

Compound Name4-[(1Z)-buta-1,3-dienyl]-3-(3-methylbutyl)pyridine
PubChem CID126703741
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name4-[(1Z)-buta-1,3-dienyl]-3-(3-methylbutyl)pyridine
SMILESC=C/C=C\c1ccncc1CCC(C)C
InChIInChI=1S/C14H19N/c1-4-5-6-13-9-10-15-11-14(13)8-7-12(2)3/h4-6,9-12H,1,7-8H2,2-3H3/b6-5-
InChIKeyDFTWTUHMGCKDIY-WAYWQWQTSA-N
XLogP3.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.87
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-(3-methylbutyl)pyridine-3-carbaldehyde
CID 82410364
3-(3-ethyl-4-pyridinyl)prop-2-enal
CID 141477371
3-dodecyl-4-ethenylpyridine
CID 23503907
1-[(1E)-buta-1,3-dienyl]-2-propylbenzene
CID 173472547
4-ethenyl-3-[(Z)-3-methylbut-1-enyl]pyridine
CID 142220960
3-[2-(3-methylbutyl)phenyl]pyridine
CID 159924713
4-[2-(3-methylbutyl)phenyl]pyridine
CID 159210275
1-(4-ethenyl-3-pyridinyl)ethanol
CID 20741865
4-(6-methylhept-1-en-3-yl)pyridine
CID 166775888
(1S)-1-(4-ethenyl-3-pyridinyl)ethanamine
CID 74787997
4-[(1Z)-buta-1,3-dienyl]-5-ethyl-1H-pyrazole
CID 129022673
[4-(3-methylbutoxy)-3-pyridinyl]methanamine
CID 81255354

Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-3-(3-methylbutyl)pyridine?
The IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-3-(3-methylbutyl)pyridine (CID 126703741) is 4-[(1Z)-buta-1,3-dienyl]-3-(3-methylbutyl)pyridine.
What is the SMILES notation for 4-[(1Z)-buta-1,3-dienyl]-3-(3-methylbutyl)pyridine?
The canonical SMILES for 4-[(1Z)-buta-1,3-dienyl]-3-(3-methylbutyl)pyridine is C=C/C=C\c1ccncc1CCC(C)C.
What is the InChIKey of 4-[(1Z)-buta-1,3-dienyl]-3-(3-methylbutyl)pyridine?
The InChIKey is DFTWTUHMGCKDIY-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H19N/c1-4-5-6-13-9-10-15-11-14(13)8-7-12(2)3/h4-6,9-12H,1,7-8H2,2-3H3/b6-5-.
What are the key properties of 4-[(1Z)-buta-1,3-dienyl]-3-(3-methylbutyl)pyridine?
4-[(1Z)-buta-1,3-dienyl]-3-(3-methylbutyl)pyridine has a molecular weight of 201.31 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-buta-1,3-dienyl]-3-(3-methylbutyl)pyridine is sourced from PubChem (CID 126703741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).