2-[3-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]but-3-enyl]pyridine

C21H25N — CID 143048623

IUPAC2-[3-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]but-3-enyl]pyridine
SMILESC=C(CCc1ccccn1)c1ccc(/C=C/C(C)(C)C)cc1
InChIInChI=1S/C21H25N/c1-17(8-13-20-7-5-6-16-22-20)19-11-9-18(10-12-19)14-15-21(2,3)4/h5-7,9-12,14-16H,1,8,13H2,2-4H3/b15-14+
InChIKeyFOVJKNNDFXTBOD-CCEZHUSRSA-N
MW291.44 g/mol
LogP5.79
Rot. Bonds5

About 2-[3-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]but-3-enyl]pyridine

2-[3-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]but-3-enyl]pyridine (PubChem CID 143048623) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[3-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]but-3-enyl]pyridine.

Molecular Properties

Compound Name2-[3-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]but-3-enyl]pyridine
PubChem CID143048623
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name2-[3-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]but-3-enyl]pyridine
SMILESC=C(CCc1ccccn1)c1ccc(/C=C/C(C)(C)C)cc1
InChIInChI=1S/C21H25N/c1-17(8-13-20-7-5-6-16-22-20)19-11-9-18(10-12-19)14-15-21(2,3)4/h5-7,9-12,14-16H,1,8,13H2,2-4H3/b15-14+
InChIKeyFOVJKNNDFXTBOD-CCEZHUSRSA-N
XLogP5.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-methyl-5-pyridin-2-ylpent-1-en-3-ol
CID 92532437
1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]-N-ethylethenamine
CID 143048491
2-methyl-4-pyridin-2-ylbutan-2-ol
CID 145217393
2-(3,3-dimethylhept-6-enyl)pyridine
CID 91019951
N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 79039378
N-(2-amino-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 81483427
(3E)-N-prop-1-en-2-yl-4-[6-(2-pyridin-2-ylethyl)-3-pyridinyl]penta-1,3-dien-2-amine
CID 166797996
3-ethenylimino-N-(2-pyridin-2-ylethyl)pent-4-en-1-amine
CID 144713805
(1Z,3Z)-5-methylidene-7-pyridin-2-ylhepta-1,3-dien-1-amine
CID 89098917
2-(5,5-dimethylhexyl)pyridine
CID 151657269
1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpropan-1-one
CID 105097579
3,3-dimethyl-4-(2-pyridin-2-ylethylamino)butan-1-ol
CID 106146853

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]but-3-enyl]pyridine?
The IUPAC name of 2-[3-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]but-3-enyl]pyridine (CID 143048623) is 2-[3-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]but-3-enyl]pyridine.
What is the SMILES notation for 2-[3-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]but-3-enyl]pyridine?
The canonical SMILES for 2-[3-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]but-3-enyl]pyridine is C=C(CCc1ccccn1)c1ccc(/C=C/C(C)(C)C)cc1.
What is the InChIKey of 2-[3-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]but-3-enyl]pyridine?
The InChIKey is FOVJKNNDFXTBOD-CCEZHUSRSA-N. The full InChI is InChI=1S/C21H25N/c1-17(8-13-20-7-5-6-16-22-20)19-11-9-18(10-12-19)14-15-21(2,3)4/h5-7,9-12,14-16H,1,8,13H2,2-4H3/b15-14+.
What are the key properties of 2-[3-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]but-3-enyl]pyridine?
2-[3-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]but-3-enyl]pyridine has a molecular weight of 291.44 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]but-3-enyl]pyridine is sourced from PubChem (CID 143048623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).