N-[(Z,4E)-4-[2-(4,4-dimethylcyclobut-2-en-1-yl)ethylidene]-7-methyl-6-methylideneoct-2-enyl]-N'-methylpropanimidamide

C22H36N2 — CID 134270411

IUPACN-[(Z,4E)-4-[2-(4,4-dimethylcyclobut-2-en-1-yl)ethylidene]-7-methyl-6-methylideneoct-2-enyl]-N'-methylpropanimidamide
SMILESC=C(CC(/C=C\CN/C(CC)=N/C)=C\CC1C=CC1(C)C)C(C)C
InChIInChI=1S/C22H36N2/c1-8-21(23-7)24-15-9-10-19(16-18(4)17(2)3)11-12-20-13-14-22(20,5)6/h9-11,13-14,17,20H,4,8,12,15-16H2,1-3,5-7H3,(H,23,24)/b10-9-,19-11-
InChIKeyQOOXWUAMNHGGGU-PZDCBAJESA-N
MW328.54 g/mol
LogP5.70
Rot. Bonds9

About N-[(Z,4E)-4-[2-(4,4-dimethylcyclobut-2-en-1-yl)ethylidene]-7-methyl-6-methylideneoct-2-enyl]-N'-methylpropanimidamide

N-[(Z,4E)-4-[2-(4,4-dimethylcyclobut-2-en-1-yl)ethylidene]-7-methyl-6-methylideneoct-2-enyl]-N'-methylpropanimidamide (PubChem CID 134270411) has the molecular formula C22H36N2 and a molecular weight of 328.54 g/mol. Its IUPAC name is N-[(Z,4E)-4-[2-(4,4-dimethylcyclobut-2-en-1-yl)ethylidene]-7-methyl-6-methylideneoct-2-enyl]-N'-methylpropanimidamide.

Molecular Properties

Compound NameN-[(Z,4E)-4-[2-(4,4-dimethylcyclobut-2-en-1-yl)ethylidene]-7-methyl-6-methylideneoct-2-enyl]-N'-methylpropanimidamide
PubChem CID134270411
Molecular FormulaC22H36N2
Molecular Weight328.54 g/mol
Exact Mass328.29
IUPAC NameN-[(Z,4E)-4-[2-(4,4-dimethylcyclobut-2-en-1-yl)ethylidene]-7-methyl-6-methylideneoct-2-enyl]-N'-methylpropanimidamide
SMILESC=C(CC(/C=C\CN/C(CC)=N/C)=C\CC1C=CC1(C)C)C(C)C
InChIInChI=1S/C22H36N2/c1-8-21(23-7)24-15-9-10-19(16-18(4)17(2)3)11-12-20-13-14-22(20,5)6/h9-11,13-14,17,20H,4,8,12,15-16H2,1-3,5-7H3,(H,23,24)/b10-9-,19-11-
InChIKeyQOOXWUAMNHGGGU-PZDCBAJESA-N
XLogP5.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z,4E)-4-[2-(4,4-dimethylcyclobut-2-en-1-yl)ethylidene]-7-methyl-6-methylideneoct-2-enyl]-N'-methylpropanimidamide?
The IUPAC name of N-[(Z,4E)-4-[2-(4,4-dimethylcyclobut-2-en-1-yl)ethylidene]-7-methyl-6-methylideneoct-2-enyl]-N'-methylpropanimidamide (CID 134270411) is N-[(Z,4E)-4-[2-(4,4-dimethylcyclobut-2-en-1-yl)ethylidene]-7-methyl-6-methylideneoct-2-enyl]-N'-methylpropanimidamide.
What is the SMILES notation for N-[(Z,4E)-4-[2-(4,4-dimethylcyclobut-2-en-1-yl)ethylidene]-7-methyl-6-methylideneoct-2-enyl]-N'-methylpropanimidamide?
The canonical SMILES for N-[(Z,4E)-4-[2-(4,4-dimethylcyclobut-2-en-1-yl)ethylidene]-7-methyl-6-methylideneoct-2-enyl]-N'-methylpropanimidamide is C=C(CC(/C=C\CN/C(CC)=N/C)=C\CC1C=CC1(C)C)C(C)C.
What is the InChIKey of N-[(Z,4E)-4-[2-(4,4-dimethylcyclobut-2-en-1-yl)ethylidene]-7-methyl-6-methylideneoct-2-enyl]-N'-methylpropanimidamide?
The InChIKey is QOOXWUAMNHGGGU-PZDCBAJESA-N. The full InChI is InChI=1S/C22H36N2/c1-8-21(23-7)24-15-9-10-19(16-18(4)17(2)3)11-12-20-13-14-22(20,5)6/h9-11,13-14,17,20H,4,8,12,15-16H2,1-3,5-7H3,(H,23,24)/b10-9-,19-11-.
What are the key properties of N-[(Z,4E)-4-[2-(4,4-dimethylcyclobut-2-en-1-yl)ethylidene]-7-methyl-6-methylideneoct-2-enyl]-N'-methylpropanimidamide?
N-[(Z,4E)-4-[2-(4,4-dimethylcyclobut-2-en-1-yl)ethylidene]-7-methyl-6-methylideneoct-2-enyl]-N'-methylpropanimidamide has a molecular weight of 328.54 g/mol, XLogP of 5.70, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,4E)-4-[2-(4,4-dimethylcyclobut-2-en-1-yl)ethylidene]-7-methyl-6-methylideneoct-2-enyl]-N'-methylpropanimidamide is sourced from PubChem (CID 134270411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).