(Z,3E)-3-[1-(ethylideneamino)ethylidene]-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hex-4-en-2-imine

C23H38N2 — CID 134286904

IUPAC(Z,3E)-3-[1-(ethylideneamino)ethylidene]-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hex-4-en-2-imine
SMILESC/C=C\C(\C(C)=N/C(=C\C)C1CC(C)(C)CC(C)(C)C1)=C(C)/N=C/C
InChIInChI=1S/C23H38N2/c1-10-13-20(17(4)24-12-3)18(5)25-21(11-2)19-14-22(6,7)16-23(8,9)15-19/h10-13,19H,14-16H2,1-9H3/b13-10-,20-17+,21-11-,24-12+,25-18+
InChIKeyWNKBOWRFIDVDPI-KDOBLSSNSA-N
MW342.57 g/mol
LogP7.14
Rot. Bonds5

About (Z,3E)-3-[1-(ethylideneamino)ethylidene]-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hex-4-en-2-imine

(Z,3E)-3-[1-(ethylideneamino)ethylidene]-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hex-4-en-2-imine (PubChem CID 134286904) has the molecular formula C23H38N2 and a molecular weight of 342.57 g/mol. Its IUPAC name is (Z,3E)-3-[1-(ethylideneamino)ethylidene]-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hex-4-en-2-imine.

Molecular Properties

Compound Name(Z,3E)-3-[1-(ethylideneamino)ethylidene]-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hex-4-en-2-imine
PubChem CID134286904
Molecular FormulaC23H38N2
Molecular Weight342.57 g/mol
Exact Mass342.30
IUPAC Name(Z,3E)-3-[1-(ethylideneamino)ethylidene]-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hex-4-en-2-imine
SMILESC/C=C\C(\C(C)=N/C(=C\C)C1CC(C)(C)CC(C)(C)C1)=C(C)/N=C/C
InChIInChI=1S/C23H38N2/c1-10-13-20(17(4)24-12-3)18(5)25-21(11-2)19-14-22(6,7)16-23(8,9)15-19/h10-13,19H,14-16H2,1-9H3/b13-10-,20-17+,21-11-,24-12+,25-18+
InChIKeyWNKBOWRFIDVDPI-KDOBLSSNSA-N
XLogP7.14
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,3E)-3-[1-(ethylideneamino)ethylidene]-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hex-4-en-2-imine?
The IUPAC name of (Z,3E)-3-[1-(ethylideneamino)ethylidene]-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hex-4-en-2-imine (CID 134286904) is (Z,3E)-3-[1-(ethylideneamino)ethylidene]-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hex-4-en-2-imine.
What is the SMILES notation for (Z,3E)-3-[1-(ethylideneamino)ethylidene]-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hex-4-en-2-imine?
The canonical SMILES for (Z,3E)-3-[1-(ethylideneamino)ethylidene]-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hex-4-en-2-imine is C/C=C\C(\C(C)=N/C(=C\C)C1CC(C)(C)CC(C)(C)C1)=C(C)/N=C/C.
What is the InChIKey of (Z,3E)-3-[1-(ethylideneamino)ethylidene]-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hex-4-en-2-imine?
The InChIKey is WNKBOWRFIDVDPI-KDOBLSSNSA-N. The full InChI is InChI=1S/C23H38N2/c1-10-13-20(17(4)24-12-3)18(5)25-21(11-2)19-14-22(6,7)16-23(8,9)15-19/h10-13,19H,14-16H2,1-9H3/b13-10-,20-17+,21-11-,24-12+,25-18+.
What are the key properties of (Z,3E)-3-[1-(ethylideneamino)ethylidene]-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hex-4-en-2-imine?
(Z,3E)-3-[1-(ethylideneamino)ethylidene]-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hex-4-en-2-imine has a molecular weight of 342.57 g/mol, XLogP of 7.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-3-[1-(ethylideneamino)ethylidene]-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hex-4-en-2-imine is sourced from PubChem (CID 134286904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).