(Z)-4-(4-ethyl-2-methylphenyl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide

C23H36N4 — CID 142497828

IUPAC(Z)-4-(4-ethyl-2-methylphenyl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide
SMILES[H]/N=C(/C=C\C(=N\[H])N(C)C1CC(C)(C)NC(C)(C)C1)c1ccc(CC)cc1C
InChIInChI=1S/C23H36N4/c1-8-17-9-10-19(16(2)13-17)20(24)11-12-21(25)27(7)18-14-22(3,4)26-23(5,6)15-18/h9-13,18,24-26H,8,14-15H2,1-7H3/b12-11-,24-20-,25-21-
InChIKeyWTRGXIASSNXKSP-BCDRYGLYSA-N
MW368.57 g/mol
LogP4.70
Rot. Bonds5

About (Z)-4-(4-ethyl-2-methylphenyl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide

(Z)-4-(4-ethyl-2-methylphenyl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide (PubChem CID 142497828) has the molecular formula C23H36N4 and a molecular weight of 368.57 g/mol. Its IUPAC name is (Z)-4-(4-ethyl-2-methylphenyl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide.

Molecular Properties

Compound Name(Z)-4-(4-ethyl-2-methylphenyl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide
PubChem CID142497828
Molecular FormulaC23H36N4
Molecular Weight368.57 g/mol
Exact Mass368.29
IUPAC Name(Z)-4-(4-ethyl-2-methylphenyl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide
SMILES[H]/N=C(/C=C\C(=N\[H])N(C)C1CC(C)(C)NC(C)(C)C1)c1ccc(CC)cc1C
InChIInChI=1S/C23H36N4/c1-8-17-9-10-19(16(2)13-17)20(24)11-12-21(25)27(7)18-14-22(3,4)26-23(5,6)15-18/h9-13,18,24-26H,8,14-15H2,1-7H3/b12-11-,24-20-,25-21-
InChIKeyWTRGXIASSNXKSP-BCDRYGLYSA-N
XLogP4.70
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4-ethyl-2-methylphenyl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide?
The IUPAC name of (Z)-4-(4-ethyl-2-methylphenyl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide (CID 142497828) is (Z)-4-(4-ethyl-2-methylphenyl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide.
What is the SMILES notation for (Z)-4-(4-ethyl-2-methylphenyl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide?
The canonical SMILES for (Z)-4-(4-ethyl-2-methylphenyl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide is [H]/N=C(/C=C\C(=N\[H])N(C)C1CC(C)(C)NC(C)(C)C1)c1ccc(CC)cc1C.
What is the InChIKey of (Z)-4-(4-ethyl-2-methylphenyl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide?
The InChIKey is WTRGXIASSNXKSP-BCDRYGLYSA-N. The full InChI is InChI=1S/C23H36N4/c1-8-17-9-10-19(16(2)13-17)20(24)11-12-21(25)27(7)18-14-22(3,4)26-23(5,6)15-18/h9-13,18,24-26H,8,14-15H2,1-7H3/b12-11-,24-20-,25-21-.
What are the key properties of (Z)-4-(4-ethyl-2-methylphenyl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide?
(Z)-4-(4-ethyl-2-methylphenyl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide has a molecular weight of 368.57 g/mol, XLogP of 4.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-ethyl-2-methylphenyl)-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide is sourced from PubChem (CID 142497828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).