(Z)-3-amino-N',4,4-trimethyl-N-[1-[6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethenyl]pent-2-enimidamide;(4Z,6Z)-2,3,5,8-tetramethyldeca-2,4,6-triene

C36H56N4OS — CID 165143069

IUPAC(Z)-3-amino-N',4,4-trimethyl-N-[1-[6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethenyl]pent-2-enimidamide;(4Z,6Z)-2,3,5,8-tetramethyldeca-2,4,6-triene
SMILESC=C(NC(/C=C(\N)C(C)(C)C)=N\C)c1csc2c1CCN(C(=O)/C(C)=C/C)C2.CCC(C)/C=C\C(C)=C/C(C)=C(C)C
InChIInChI=1S/C22H32N4OS.C14H24/c1-8-14(2)21(27)26-10-9-16-17(13-28-18(16)12-26)15(3)25-20(24-7)11-19(23)22(4,5)6;1-7-12(4)8-9-13(5)10-14(6)11(2)3/h8,11,13H,3,9-10,12,23H2,1-2,4-7H3,(H,24,25);8-10,12H,7H2,1-6H3/b14-8+,19-11-;9-8-,13-10-
InChIKeyWWKVUYCFJVWJBY-FVIZYRFNSA-N
MW592.94 g/mol
LogP8.97
Rot. Bonds8

About (Z)-3-amino-N',4,4-trimethyl-N-[1-[6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethenyl]pent-2-enimidamide;(4Z,6Z)-2,3,5,8-tetramethyldeca-2,4,6-triene

(Z)-3-amino-N',4,4-trimethyl-N-[1-[6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethenyl]pent-2-enimidamide;(4Z,6Z)-2,3,5,8-tetramethyldeca-2,4,6-triene (PubChem CID 165143069) has the molecular formula C36H56N4OS and a molecular weight of 592.94 g/mol. Its IUPAC name is (Z)-3-amino-N',4,4-trimethyl-N-[1-[6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethenyl]pent-2-enimidamide;(4Z,6Z)-2,3,5,8-tetramethyldeca-2,4,6-triene.

Molecular Properties

Compound Name(Z)-3-amino-N',4,4-trimethyl-N-[1-[6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethenyl]pent-2-enimidamide;(4Z,6Z)-2,3,5,8-tetramethyldeca-2,4,6-triene
PubChem CID165143069
Molecular FormulaC36H56N4OS
Molecular Weight592.94 g/mol
Exact Mass592.42
IUPAC Name(Z)-3-amino-N',4,4-trimethyl-N-[1-[6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethenyl]pent-2-enimidamide;(4Z,6Z)-2,3,5,8-tetramethyldeca-2,4,6-triene
SMILESC=C(NC(/C=C(\N)C(C)(C)C)=N\C)c1csc2c1CCN(C(=O)/C(C)=C/C)C2.CCC(C)/C=C\C(C)=C/C(C)=C(C)C
InChIInChI=1S/C22H32N4OS.C14H24/c1-8-14(2)21(27)26-10-9-16-17(13-28-18(16)12-26)15(3)25-20(24-7)11-19(23)22(4,5)6;1-7-12(4)8-9-13(5)10-14(6)11(2)3/h8,11,13H,3,9-10,12,23H2,1-2,4-7H3,(H,24,25);8-10,12H,7H2,1-6H3/b14-8+,19-11-;9-8-,13-10-
InChIKeyWWKVUYCFJVWJBY-FVIZYRFNSA-N
XLogP8.97
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.94
LogP ≤ 58.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z)-3-amino-N',4,4-trimethyl-N-[1-[6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethenyl]pent-2-enimidamide;(4Z,6Z)-2,3,5,8-tetramethyldeca-2,4,6-triene with MolForge

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Related Compounds

(E)-1-[3-[1-[[(2E,4E)-5-(1,1-difluoroethyl)hepta-2,4,6-trien-3-yl]amino]ethenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-2-methylbut-2-en-1-one;(2Z,4Z)-6,7-dimethylnona-2,4,6-triene;propane
CID 165143254
(Z)-3-amino-N',4,4-trimethyl-N-[1-[6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethenyl]pent-2-enimidamide;(4Z,6E)-2,3-dimethyl-6-(trifluoromethyl)octa-2,4,6-triene;propane
CID 165143571
(4Z,6Z)-2,3-dimethylocta-2,4,6-triene;6-[(E)-2-methylbut-2-enoyl]-N'-[(3Z,5Z)-8,8,8-trifluoro-6-methoxy-7,7-dimethylocta-3,5-dien-4-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide;propane
CID 165143691
6-[(E)-2-methylbut-2-enoyl]-N'-[(3Z,5Z)-8,8,8-trifluoro-6-methoxy-7,7-dimethylocta-3,5-dien-4-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide
CID 165143692
8-[6-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)hexan-2-yl]-1,6-dihydropyrido[2,3-b]azepin-2-one
CID 139384415
N-[[6-[(E)-4-[ethyl(methyl)amino]but-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[[(2E,4E)-6-methylidene-5-[[(Z)-2-methylidenehex-3-enyl]amino]octa-2,4,7-trien-2-yl]amino]methyl]-N,N'-dimethylmethanimidamide;2-fluorobut-1-ene
CID 143545037
N'-[C-[(Z)-2-amino-4-methylpent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene
CID 165143048
N-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-(2-hydroxyethyl)carbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene
CID 165143102
N-[(E)-1-amino-4,4-dimethylpent-2-enylidene]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene
CID 165143124
(Z)-3-amino-N',4,4-trimethyl-N-[1-[6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethenyl]pent-2-enimidamide;(4Z,6E)-6-fluoro-2,3-dimethylocta-2,4,6-triene;propane
CID 165143270
N'-[C-[(Z)-2-aminopent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene
CID 165143414
N-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-ethylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene
CID 165143420

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-N',4,4-trimethyl-N-[1-[6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethenyl]pent-2-enimidamide;(4Z,6Z)-2,3,5,8-tetramethyldeca-2,4,6-triene?
The IUPAC name of (Z)-3-amino-N',4,4-trimethyl-N-[1-[6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethenyl]pent-2-enimidamide;(4Z,6Z)-2,3,5,8-tetramethyldeca-2,4,6-triene (CID 165143069) is (Z)-3-amino-N',4,4-trimethyl-N-[1-[6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethenyl]pent-2-enimidamide;(4Z,6Z)-2,3,5,8-tetramethyldeca-2,4,6-triene.
What is the SMILES notation for (Z)-3-amino-N',4,4-trimethyl-N-[1-[6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethenyl]pent-2-enimidamide;(4Z,6Z)-2,3,5,8-tetramethyldeca-2,4,6-triene?
The canonical SMILES for (Z)-3-amino-N',4,4-trimethyl-N-[1-[6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethenyl]pent-2-enimidamide;(4Z,6Z)-2,3,5,8-tetramethyldeca-2,4,6-triene is C=C(NC(/C=C(\N)C(C)(C)C)=N\C)c1csc2c1CCN(C(=O)/C(C)=C/C)C2.CCC(C)/C=C\C(C)=C/C(C)=C(C)C.
What is the InChIKey of (Z)-3-amino-N',4,4-trimethyl-N-[1-[6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethenyl]pent-2-enimidamide;(4Z,6Z)-2,3,5,8-tetramethyldeca-2,4,6-triene?
The InChIKey is WWKVUYCFJVWJBY-FVIZYRFNSA-N. The full InChI is InChI=1S/C22H32N4OS.C14H24/c1-8-14(2)21(27)26-10-9-16-17(13-28-18(16)12-26)15(3)25-20(24-7)11-19(23)22(4,5)6;1-7-12(4)8-9-13(5)10-14(6)11(2)3/h8,11,13H,3,9-10,12,23H2,1-2,4-7H3,(H,24,25);8-10,12H,7H2,1-6H3/b14-8+,19-11-;9-8-,13-10-.
What are the key properties of (Z)-3-amino-N',4,4-trimethyl-N-[1-[6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethenyl]pent-2-enimidamide;(4Z,6Z)-2,3,5,8-tetramethyldeca-2,4,6-triene?
(Z)-3-amino-N',4,4-trimethyl-N-[1-[6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethenyl]pent-2-enimidamide;(4Z,6Z)-2,3,5,8-tetramethyldeca-2,4,6-triene has a molecular weight of 592.94 g/mol, XLogP of 8.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N',4,4-trimethyl-N-[1-[6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethenyl]pent-2-enimidamide;(4Z,6Z)-2,3,5,8-tetramethyldeca-2,4,6-triene is sourced from PubChem (CID 165143069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).