(3E,5E,6E)-5-[(Z)-but-2-enylidene]-4-ethyl-N,7-dimethyldeca-3,6-dien-2-imine

C18H29N — CID 130285259

IUPAC(3E,5E,6E)-5-[(Z)-but-2-enylidene]-4-ethyl-N,7-dimethyldeca-3,6-dien-2-imine
SMILESC/C=C\C=C(/C=C(\C)CCC)C(=C\C(C)=N\C)\CC
InChIInChI=1S/C18H29N/c1-7-10-12-18(13-15(4)11-8-2)17(9-3)14-16(5)19-6/h7,10,12-14H,8-9,11H2,1-6H3/b10-7-,15-13+,17-14+,18-12+,19-16+
InChIKeyXZIIQGGAABITQJ-PIGPHUSISA-N
MW259.44 g/mol
LogP5.66
Rot. Bonds7

About (3E,5E,6E)-5-[(Z)-but-2-enylidene]-4-ethyl-N,7-dimethyldeca-3,6-dien-2-imine

(3E,5E,6E)-5-[(Z)-but-2-enylidene]-4-ethyl-N,7-dimethyldeca-3,6-dien-2-imine (PubChem CID 130285259) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is (3E,5E,6E)-5-[(Z)-but-2-enylidene]-4-ethyl-N,7-dimethyldeca-3,6-dien-2-imine.

Molecular Properties

Compound Name(3E,5E,6E)-5-[(Z)-but-2-enylidene]-4-ethyl-N,7-dimethyldeca-3,6-dien-2-imine
PubChem CID130285259
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name(3E,5E,6E)-5-[(Z)-but-2-enylidene]-4-ethyl-N,7-dimethyldeca-3,6-dien-2-imine
SMILESC/C=C\C=C(/C=C(\C)CCC)C(=C\C(C)=N\C)\CC
InChIInChI=1S/C18H29N/c1-7-10-12-18(13-15(4)11-8-2)17(9-3)14-16(5)19-6/h7,10,12-14H,8-9,11H2,1-6H3/b10-7-,15-13+,17-14+,18-12+,19-16+
InChIKeyXZIIQGGAABITQJ-PIGPHUSISA-N
XLogP5.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3E,5E,6E)-5-[(Z)-but-2-enylidene]-4-ethyl-N,7-dimethyldeca-3,6-dien-2-imine?
The IUPAC name of (3E,5E,6E)-5-[(Z)-but-2-enylidene]-4-ethyl-N,7-dimethyldeca-3,6-dien-2-imine (CID 130285259) is (3E,5E,6E)-5-[(Z)-but-2-enylidene]-4-ethyl-N,7-dimethyldeca-3,6-dien-2-imine.
What is the SMILES notation for (3E,5E,6E)-5-[(Z)-but-2-enylidene]-4-ethyl-N,7-dimethyldeca-3,6-dien-2-imine?
The canonical SMILES for (3E,5E,6E)-5-[(Z)-but-2-enylidene]-4-ethyl-N,7-dimethyldeca-3,6-dien-2-imine is C/C=C\C=C(/C=C(\C)CCC)C(=C\C(C)=N\C)\CC.
What is the InChIKey of (3E,5E,6E)-5-[(Z)-but-2-enylidene]-4-ethyl-N,7-dimethyldeca-3,6-dien-2-imine?
The InChIKey is XZIIQGGAABITQJ-PIGPHUSISA-N. The full InChI is InChI=1S/C18H29N/c1-7-10-12-18(13-15(4)11-8-2)17(9-3)14-16(5)19-6/h7,10,12-14H,8-9,11H2,1-6H3/b10-7-,15-13+,17-14+,18-12+,19-16+.
What are the key properties of (3E,5E,6E)-5-[(Z)-but-2-enylidene]-4-ethyl-N,7-dimethyldeca-3,6-dien-2-imine?
(3E,5E,6E)-5-[(Z)-but-2-enylidene]-4-ethyl-N,7-dimethyldeca-3,6-dien-2-imine has a molecular weight of 259.44 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,6E)-5-[(Z)-but-2-enylidene]-4-ethyl-N,7-dimethyldeca-3,6-dien-2-imine is sourced from PubChem (CID 130285259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).