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

C25H38N4 — CID 137472108

IUPAC(Z)-N-cyclopropyl-4-(2-ethyl-4-methylphenyl)-4-imino-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide
SMILES[H]/N=C(/C=C\C(=N\[H])N(C1CC1)C1CC(C)(C)NC(C)(C)C1)c1ccc(C)cc1CC
InChIInChI=1S/C25H38N4/c1-7-18-14-17(2)8-11-21(18)22(26)12-13-23(27)29(19-9-10-19)20-15-24(3,4)28-25(5,6)16-20/h8,11-14,19-20,26-28H,7,9-10,15-16H2,1-6H3/b13-12-,26-22-,27-23-
InChIKeyZRXCHECGRPWETB-VVPGLUNASA-N
MW394.61 g/mol
LogP5.23
Rot. Bonds6

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

(Z)-N-cyclopropyl-4-(2-ethyl-4-methylphenyl)-4-imino-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide (PubChem CID 137472108) has the molecular formula C25H38N4 and a molecular weight of 394.61 g/mol. Its IUPAC name is (Z)-N-cyclopropyl-4-(2-ethyl-4-methylphenyl)-4-imino-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide.

Molecular Properties

Compound Name(Z)-N-cyclopropyl-4-(2-ethyl-4-methylphenyl)-4-imino-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide
PubChem CID137472108
Molecular FormulaC25H38N4
Molecular Weight394.61 g/mol
Exact Mass394.31
IUPAC Name(Z)-N-cyclopropyl-4-(2-ethyl-4-methylphenyl)-4-imino-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide
SMILES[H]/N=C(/C=C\C(=N\[H])N(C1CC1)C1CC(C)(C)NC(C)(C)C1)c1ccc(C)cc1CC
InChIInChI=1S/C25H38N4/c1-7-18-14-17(2)8-11-21(18)22(26)12-13-23(27)29(19-9-10-19)20-15-24(3,4)28-25(5,6)16-20/h8,11-14,19-20,26-28H,7,9-10,15-16H2,1-6H3/b13-12-,26-22-,27-23-
InChIKeyZRXCHECGRPWETB-VVPGLUNASA-N
XLogP5.23
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.61
LogP ≤ 55.23
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)-N-cyclopropyl-4-(2-ethyl-4-methylphenyl)-4-imino-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide?
The IUPAC name of (Z)-N-cyclopropyl-4-(2-ethyl-4-methylphenyl)-4-imino-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide (CID 137472108) is (Z)-N-cyclopropyl-4-(2-ethyl-4-methylphenyl)-4-imino-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide.
What is the SMILES notation for (Z)-N-cyclopropyl-4-(2-ethyl-4-methylphenyl)-4-imino-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide?
The canonical SMILES for (Z)-N-cyclopropyl-4-(2-ethyl-4-methylphenyl)-4-imino-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide is [H]/N=C(/C=C\C(=N\[H])N(C1CC1)C1CC(C)(C)NC(C)(C)C1)c1ccc(C)cc1CC.
What is the InChIKey of (Z)-N-cyclopropyl-4-(2-ethyl-4-methylphenyl)-4-imino-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide?
The InChIKey is ZRXCHECGRPWETB-VVPGLUNASA-N. The full InChI is InChI=1S/C25H38N4/c1-7-18-14-17(2)8-11-21(18)22(26)12-13-23(27)29(19-9-10-19)20-15-24(3,4)28-25(5,6)16-20/h8,11-14,19-20,26-28H,7,9-10,15-16H2,1-6H3/b13-12-,26-22-,27-23-.
What are the key properties of (Z)-N-cyclopropyl-4-(2-ethyl-4-methylphenyl)-4-imino-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide?
(Z)-N-cyclopropyl-4-(2-ethyl-4-methylphenyl)-4-imino-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide has a molecular weight of 394.61 g/mol, XLogP of 5.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-cyclopropyl-4-(2-ethyl-4-methylphenyl)-4-imino-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide is sourced from PubChem (CID 137472108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).