2-tert-butyl-6-ethenylpyridine;3-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyrimidine;N-(3,3-dimethylbutyl)-N-ethylprop-2-enamide;N-(3,3-dimethylbutyl)-N-prop-2-enylprop-2-enamide;N-(2,2-dimethylpropyl)-N-ethylprop-2-enamide;N-(2,2-dimethylpropyl)-N-prop-2-enylprop-2-enamide

C87H139N9O4 — CID 162251945

IUPAC2-tert-butyl-6-ethenylpyridine;3-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyrimidine;N-(3,3-dimethylbutyl)-N-ethylprop-2-enamide;N-(3,3-dimethylbutyl)-N-prop-2-enylprop-2-enamide;N-(2,2-dimethylpropyl)-N-ethylprop-2-enamide;N-(2,2-dimethylpropyl)-N-prop-2-enylprop-2-enamide
SMILESC=CC(=O)N(CC)CC(C)(C)C.C=CC(=O)N(CC)CCC(C)(C)C.C=CCN(CC(C)(C)C)C(=O)C=C.C=CCN(CCC(C)(C)C)C(=O)C=C.C=Cc1cc(C(C)(C)C)ccn1.C=Cc1cccc(C(C)(C)C)n1.C=Cc1nccc(C(C)(C)C)n1.C=Cc1ncccc1C(C)(C)C
InChIInChI=1S/C12H21NO.C11H21NO.C11H19NO.3C11H15N.C10H14N2.C10H19NO/c1-6-9-13(11(14)7-2)10-8-12(3,4)5;1-6-10(13)12(7-2)9-8-11(3,4)5;1-6-8-12(10(13)7-2)9-11(3,4)5;1-5-10-8-9(6-7-12-10)11(2,3)4;1-5-10-9(11(2,3)4)7-6-8-12-10;1-5-9-7-6-8-10(12-9)11(2,3)4;1-5-9-11-7-6-8(12-9)10(2,3)4;1-6-9(12)11(7-2)8-10(3,4)5/h6-7H,1-2,8-10H2,3-5H3;6H,1,7-9H2,2-5H3;6-7H,1-2,8-9H2,3-5H3;3*5-8H,1H2,2-4H3;5-7H,1H2,2-4H3;6H,1,7-8H2,2-5H3
InChIKeyZYCJRIIJXPOLIJ-UHFFFAOYSA-N
MW1375.13 g/mol
LogP20.86
Rot. Bonds20

About 2-tert-butyl-6-ethenylpyridine;3-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyrimidine;N-(3,3-dimethylbutyl)-N-ethylprop-2-enamide;N-(3,3-dimethylbutyl)-N-prop-2-enylprop-2-enamide;N-(2,2-dimethylpropyl)-N-ethylprop-2-enamide;N-(2,2-dimethylpropyl)-N-prop-2-enylprop-2-enamide

2-tert-butyl-6-ethenylpyridine;3-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyrimidine;N-(3,3-dimethylbutyl)-N-ethylprop-2-enamide;N-(3,3-dimethylbutyl)-N-prop-2-enylprop-2-enamide;N-(2,2-dimethylpropyl)-N-ethylprop-2-enamide;N-(2,2-dimethylpropyl)-N-prop-2-enylprop-2-enamide (PubChem CID 162251945) has the molecular formula C87H139N9O4 and a molecular weight of 1375.13 g/mol. Its IUPAC name is 2-tert-butyl-6-ethenylpyridine;3-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyrimidine;N-(3,3-dimethylbutyl)-N-ethylprop-2-enamide;N-(3,3-dimethylbutyl)-N-prop-2-enylprop-2-enamide;N-(2,2-dimethylpropyl)-N-ethylprop-2-enamide;N-(2,2-dimethylpropyl)-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name2-tert-butyl-6-ethenylpyridine;3-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyrimidine;N-(3,3-dimethylbutyl)-N-ethylprop-2-enamide;N-(3,3-dimethylbutyl)-N-prop-2-enylprop-2-enamide;N-(2,2-dimethylpropyl)-N-ethylprop-2-enamide;N-(2,2-dimethylpropyl)-N-prop-2-enylprop-2-enamide
PubChem CID162251945
Molecular FormulaC87H139N9O4
Molecular Weight1375.13 g/mol
Exact Mass1374.10
IUPAC Name2-tert-butyl-6-ethenylpyridine;3-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyrimidine;N-(3,3-dimethylbutyl)-N-ethylprop-2-enamide;N-(3,3-dimethylbutyl)-N-prop-2-enylprop-2-enamide;N-(2,2-dimethylpropyl)-N-ethylprop-2-enamide;N-(2,2-dimethylpropyl)-N-prop-2-enylprop-2-enamide
SMILESC=CC(=O)N(CC)CC(C)(C)C.C=CC(=O)N(CC)CCC(C)(C)C.C=CCN(CC(C)(C)C)C(=O)C=C.C=CCN(CCC(C)(C)C)C(=O)C=C.C=Cc1cc(C(C)(C)C)ccn1.C=Cc1cccc(C(C)(C)C)n1.C=Cc1nccc(C(C)(C)C)n1.C=Cc1ncccc1C(C)(C)C
InChIInChI=1S/C12H21NO.C11H21NO.C11H19NO.3C11H15N.C10H14N2.C10H19NO/c1-6-9-13(11(14)7-2)10-8-12(3,4)5;1-6-10(13)12(7-2)9-8-11(3,4)5;1-6-8-12(10(13)7-2)9-11(3,4)5;1-5-10-8-9(6-7-12-10)11(2,3)4;1-5-10-9(11(2,3)4)7-6-8-12-10;1-5-9-7-6-8-10(12-9)11(2,3)4;1-5-9-11-7-6-8(12-9)10(2,3)4;1-6-9(12)11(7-2)8-10(3,4)5/h6-7H,1-2,8-10H2,3-5H3;6H,1,7-9H2,2-5H3;6-7H,1-2,8-9H2,3-5H3;3*5-8H,1H2,2-4H3;5-7H,1H2,2-4H3;6H,1,7-8H2,2-5H3
InChIKeyZYCJRIIJXPOLIJ-UHFFFAOYSA-N
XLogP20.86
TPSA145.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001375.13
LogP ≤ 520.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-ethenylpyridine;3-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyrimidine;N-(3,3-dimethylbutyl)-N-ethylprop-2-enamide;N-(3,3-dimethylbutyl)-N-prop-2-enylprop-2-enamide;N-(2,2-dimethylpropyl)-N-ethylprop-2-enamide;N-(2,2-dimethylpropyl)-N-prop-2-enylprop-2-enamide?
The IUPAC name of 2-tert-butyl-6-ethenylpyridine;3-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyrimidine;N-(3,3-dimethylbutyl)-N-ethylprop-2-enamide;N-(3,3-dimethylbutyl)-N-prop-2-enylprop-2-enamide;N-(2,2-dimethylpropyl)-N-ethylprop-2-enamide;N-(2,2-dimethylpropyl)-N-prop-2-enylprop-2-enamide (CID 162251945) is 2-tert-butyl-6-ethenylpyridine;3-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyrimidine;N-(3,3-dimethylbutyl)-N-ethylprop-2-enamide;N-(3,3-dimethylbutyl)-N-prop-2-enylprop-2-enamide;N-(2,2-dimethylpropyl)-N-ethylprop-2-enamide;N-(2,2-dimethylpropyl)-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for 2-tert-butyl-6-ethenylpyridine;3-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyrimidine;N-(3,3-dimethylbutyl)-N-ethylprop-2-enamide;N-(3,3-dimethylbutyl)-N-prop-2-enylprop-2-enamide;N-(2,2-dimethylpropyl)-N-ethylprop-2-enamide;N-(2,2-dimethylpropyl)-N-prop-2-enylprop-2-enamide?
The canonical SMILES for 2-tert-butyl-6-ethenylpyridine;3-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyrimidine;N-(3,3-dimethylbutyl)-N-ethylprop-2-enamide;N-(3,3-dimethylbutyl)-N-prop-2-enylprop-2-enamide;N-(2,2-dimethylpropyl)-N-ethylprop-2-enamide;N-(2,2-dimethylpropyl)-N-prop-2-enylprop-2-enamide is C=CC(=O)N(CC)CC(C)(C)C.C=CC(=O)N(CC)CCC(C)(C)C.C=CCN(CC(C)(C)C)C(=O)C=C.C=CCN(CCC(C)(C)C)C(=O)C=C.C=Cc1cc(C(C)(C)C)ccn1.C=Cc1cccc(C(C)(C)C)n1.C=Cc1nccc(C(C)(C)C)n1.C=Cc1ncccc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-6-ethenylpyridine;3-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyrimidine;N-(3,3-dimethylbutyl)-N-ethylprop-2-enamide;N-(3,3-dimethylbutyl)-N-prop-2-enylprop-2-enamide;N-(2,2-dimethylpropyl)-N-ethylprop-2-enamide;N-(2,2-dimethylpropyl)-N-prop-2-enylprop-2-enamide?
The InChIKey is ZYCJRIIJXPOLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO.C11H21NO.C11H19NO.3C11H15N.C10H14N2.C10H19NO/c1-6-9-13(11(14)7-2)10-8-12(3,4)5;1-6-10(13)12(7-2)9-8-11(3,4)5;1-6-8-12(10(13)7-2)9-11(3,4)5;1-5-10-8-9(6-7-12-10)11(2,3)4;1-5-10-9(11(2,3)4)7-6-8-12-10;1-5-9-7-6-8-10(12-9)11(2,3)4;1-5-9-11-7-6-8(12-9)10(2,3)4;1-6-9(12)11(7-2)8-10(3,4)5/h6-7H,1-2,8-10H2,3-5H3;6H,1,7-9H2,2-5H3;6-7H,1-2,8-9H2,3-5H3;3*5-8H,1H2,2-4H3;5-7H,1H2,2-4H3;6H,1,7-8H2,2-5H3.
What are the key properties of 2-tert-butyl-6-ethenylpyridine;3-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyrimidine;N-(3,3-dimethylbutyl)-N-ethylprop-2-enamide;N-(3,3-dimethylbutyl)-N-prop-2-enylprop-2-enamide;N-(2,2-dimethylpropyl)-N-ethylprop-2-enamide;N-(2,2-dimethylpropyl)-N-prop-2-enylprop-2-enamide?
2-tert-butyl-6-ethenylpyridine;3-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyrimidine;N-(3,3-dimethylbutyl)-N-ethylprop-2-enamide;N-(3,3-dimethylbutyl)-N-prop-2-enylprop-2-enamide;N-(2,2-dimethylpropyl)-N-ethylprop-2-enamide;N-(2,2-dimethylpropyl)-N-prop-2-enylprop-2-enamide has a molecular weight of 1375.13 g/mol, XLogP of 20.86, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-ethenylpyridine;3-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyrimidine;N-(3,3-dimethylbutyl)-N-ethylprop-2-enamide;N-(3,3-dimethylbutyl)-N-prop-2-enylprop-2-enamide;N-(2,2-dimethylpropyl)-N-ethylprop-2-enamide;N-(2,2-dimethylpropyl)-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 162251945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).