2-tert-butyl-5-[(Z)-hex-4-en-1-yn-3-yl]pyridine

C15H19N — CID 143882562

IUPAC2-tert-butyl-5-[(Z)-hex-4-en-1-yn-3-yl]pyridine
SMILESC#CC(/C=C\C)c1ccc(C(C)(C)C)nc1
InChIInChI=1S/C15H19N/c1-6-8-12(7-2)13-9-10-14(16-11-13)15(3,4)5/h2,6,8-12H,1,3-5H3/b8-6-
InChIKeyRSGZEWRXZAPRAD-VURMDHGXSA-N
MW213.32 g/mol
LogP3.67
Rot. Bonds2

About 2-tert-butyl-5-[(Z)-hex-4-en-1-yn-3-yl]pyridine

2-tert-butyl-5-[(Z)-hex-4-en-1-yn-3-yl]pyridine (PubChem CID 143882562) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-tert-butyl-5-[(Z)-hex-4-en-1-yn-3-yl]pyridine.

Molecular Properties

Compound Name2-tert-butyl-5-[(Z)-hex-4-en-1-yn-3-yl]pyridine
PubChem CID143882562
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name2-tert-butyl-5-[(Z)-hex-4-en-1-yn-3-yl]pyridine
SMILESC#CC(/C=C\C)c1ccc(C(C)(C)C)nc1
InChIInChI=1S/C15H19N/c1-6-8-12(7-2)13-9-10-14(16-11-13)15(3,4)5/h2,6,8-12H,1,3-5H3/b8-6-
InChIKeyRSGZEWRXZAPRAD-VURMDHGXSA-N
XLogP3.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(R)-N-[(1S)-1-(6-tert-butyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;sulfane
CID 159800437
2-(2-iodopropan-2-yl)-5-propan-2-ylpyridine
CID 138506536
2,5-ditert-butylpyridine;propane
CID 158805083
2-[5-[1-(propan-2-ylamino)ethyl]-2-pyridinyl]propan-2-ol
CID 177140197
5-(1-iodoethyl)-2-(trifluoromethyl)pyridine
CID 142294771
2-tert-butyl-5-(piperidin-1-ylmethyl)pyridine
CID 71286312
1-[6-[chloro(difluoro)methyl]-3-pyridinyl]ethanethiol
CID 88935375
2-tert-butyl-5-(2-phenylpropyl)pyridine
CID 170131220
2-tert-butyl-5-ethylsulfonylpyridine
CID 146657361
5-(1-methylsulfinylethyl)-2-(trichloromethyl)pyridine
CID 70884153
2-tert-butyl-5-[(3R)-pent-1-yn-3-yl]oxypyrazine
CID 162235081
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-propan-2-ylpyridine
CID 135234346

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[(Z)-hex-4-en-1-yn-3-yl]pyridine?
The IUPAC name of 2-tert-butyl-5-[(Z)-hex-4-en-1-yn-3-yl]pyridine (CID 143882562) is 2-tert-butyl-5-[(Z)-hex-4-en-1-yn-3-yl]pyridine.
What is the SMILES notation for 2-tert-butyl-5-[(Z)-hex-4-en-1-yn-3-yl]pyridine?
The canonical SMILES for 2-tert-butyl-5-[(Z)-hex-4-en-1-yn-3-yl]pyridine is C#CC(/C=C\C)c1ccc(C(C)(C)C)nc1.
What is the InChIKey of 2-tert-butyl-5-[(Z)-hex-4-en-1-yn-3-yl]pyridine?
The InChIKey is RSGZEWRXZAPRAD-VURMDHGXSA-N. The full InChI is InChI=1S/C15H19N/c1-6-8-12(7-2)13-9-10-14(16-11-13)15(3,4)5/h2,6,8-12H,1,3-5H3/b8-6-.
What are the key properties of 2-tert-butyl-5-[(Z)-hex-4-en-1-yn-3-yl]pyridine?
2-tert-butyl-5-[(Z)-hex-4-en-1-yn-3-yl]pyridine has a molecular weight of 213.32 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[(Z)-hex-4-en-1-yn-3-yl]pyridine is sourced from PubChem (CID 143882562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).