(Z,3Z)-6-ethyl-3-[1-(ethylideneamino)ethylidene]-4,9-dimethyldec-4-en-2-imine

C18H32N2 — CID 170179562

IUPAC(Z,3Z)-6-ethyl-3-[1-(ethylideneamino)ethylidene]-4,9-dimethyldec-4-en-2-imine
SMILES[H]/N=C(C)/C(C(/C)=C\C(CC)CCC(C)C)=C(C)\N=C\C
InChIInChI=1S/C18H32N2/c1-8-17(11-10-13(3)4)12-14(5)18(15(6)19)16(7)20-9-2/h9,12-13,17,19H,8,10-11H2,1-7H3/b14-12-,18-16-,19-15+,20-9+
InChIKeyPQTRGJAWBZDPAS-MWZSTYHQSA-N
MW276.47 g/mol
LogP5.80
Rot. Bonds8

About (Z,3Z)-6-ethyl-3-[1-(ethylideneamino)ethylidene]-4,9-dimethyldec-4-en-2-imine

(Z,3Z)-6-ethyl-3-[1-(ethylideneamino)ethylidene]-4,9-dimethyldec-4-en-2-imine (PubChem CID 170179562) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is (Z,3Z)-6-ethyl-3-[1-(ethylideneamino)ethylidene]-4,9-dimethyldec-4-en-2-imine.

Molecular Properties

Compound Name(Z,3Z)-6-ethyl-3-[1-(ethylideneamino)ethylidene]-4,9-dimethyldec-4-en-2-imine
PubChem CID170179562
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name(Z,3Z)-6-ethyl-3-[1-(ethylideneamino)ethylidene]-4,9-dimethyldec-4-en-2-imine
SMILES[H]/N=C(C)/C(C(/C)=C\C(CC)CCC(C)C)=C(C)\N=C\C
InChIInChI=1S/C18H32N2/c1-8-17(11-10-13(3)4)12-14(5)18(15(6)19)16(7)20-9-2/h9,12-13,17,19H,8,10-11H2,1-7H3/b14-12-,18-16-,19-15+,20-9+
InChIKeyPQTRGJAWBZDPAS-MWZSTYHQSA-N
XLogP5.80
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.47
LogP ≤ 55.80
H-Bond Donors ≤ 51
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,3Z)-6-ethyl-3-[1-(ethylideneamino)ethylidene]-4,9-dimethyldec-4-en-2-imine?
The IUPAC name of (Z,3Z)-6-ethyl-3-[1-(ethylideneamino)ethylidene]-4,9-dimethyldec-4-en-2-imine (CID 170179562) is (Z,3Z)-6-ethyl-3-[1-(ethylideneamino)ethylidene]-4,9-dimethyldec-4-en-2-imine.
What is the SMILES notation for (Z,3Z)-6-ethyl-3-[1-(ethylideneamino)ethylidene]-4,9-dimethyldec-4-en-2-imine?
The canonical SMILES for (Z,3Z)-6-ethyl-3-[1-(ethylideneamino)ethylidene]-4,9-dimethyldec-4-en-2-imine is [H]/N=C(C)/C(C(/C)=C\C(CC)CCC(C)C)=C(C)\N=C\C.
What is the InChIKey of (Z,3Z)-6-ethyl-3-[1-(ethylideneamino)ethylidene]-4,9-dimethyldec-4-en-2-imine?
The InChIKey is PQTRGJAWBZDPAS-MWZSTYHQSA-N. The full InChI is InChI=1S/C18H32N2/c1-8-17(11-10-13(3)4)12-14(5)18(15(6)19)16(7)20-9-2/h9,12-13,17,19H,8,10-11H2,1-7H3/b14-12-,18-16-,19-15+,20-9+.
What are the key properties of (Z,3Z)-6-ethyl-3-[1-(ethylideneamino)ethylidene]-4,9-dimethyldec-4-en-2-imine?
(Z,3Z)-6-ethyl-3-[1-(ethylideneamino)ethylidene]-4,9-dimethyldec-4-en-2-imine has a molecular weight of 276.47 g/mol, XLogP of 5.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3Z)-6-ethyl-3-[1-(ethylideneamino)ethylidene]-4,9-dimethyldec-4-en-2-imine is sourced from PubChem (CID 170179562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).