copper bis(N-ethyl-4-ethyliminopent-2-en-2-amine)

C18H34CuN4 — CID 173341709

IUPACcopper bis(N-ethyl-4-ethyliminopent-2-en-2-amine)
SMILES[CH2-]C(=C/C(C)=N/CC)NCC.[CH2-]C(=C/C(C)=N/CC)NCC.[Cu+2]
InChIInChI=1S/2C9H17N2.Cu/c2*1-5-10-8(3)7-9(4)11-6-2;/h2*7,10H,3,5-6H2,1-2,4H3;/q2*-1;+2/b2*8-7?,11-9+;
InChIKeyIIGYBVJVGNIWLX-KTHPQDAYSA-N
MW370.04 g/mol
LogP3.59
Rot. Bonds8

About copper bis(N-ethyl-4-ethyliminopent-2-en-2-amine)

copper bis(N-ethyl-4-ethyliminopent-2-en-2-amine) (PubChem CID 173341709) has the molecular formula C18H34CuN4 and a molecular weight of 370.04 g/mol. Its IUPAC name is copper bis(N-ethyl-4-ethyliminopent-2-en-2-amine).

Molecular Properties

Compound Namecopper bis(N-ethyl-4-ethyliminopent-2-en-2-amine)
PubChem CID173341709
Molecular FormulaC18H34CuN4
Molecular Weight370.04 g/mol
Exact Mass369.21
IUPAC Namecopper bis(N-ethyl-4-ethyliminopent-2-en-2-amine)
SMILES[CH2-]C(=C/C(C)=N/CC)NCC.[CH2-]C(=C/C(C)=N/CC)NCC.[Cu+2]
InChIInChI=1S/2C9H17N2.Cu/c2*1-5-10-8(3)7-9(4)11-6-2;/h2*7,10H,3,5-6H2,1-2,4H3;/q2*-1;+2/b2*8-7?,11-9+;
InChIKeyIIGYBVJVGNIWLX-KTHPQDAYSA-N
XLogP3.59
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.04
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper bis(N-ethyl-4-ethyliminopent-2-en-2-amine)?
The IUPAC name of copper bis(N-ethyl-4-ethyliminopent-2-en-2-amine) (CID 173341709) is copper bis(N-ethyl-4-ethyliminopent-2-en-2-amine).
What is the SMILES notation for copper bis(N-ethyl-4-ethyliminopent-2-en-2-amine)?
The canonical SMILES for copper bis(N-ethyl-4-ethyliminopent-2-en-2-amine) is [CH2-]C(=C/C(C)=N/CC)NCC.[CH2-]C(=C/C(C)=N/CC)NCC.[Cu+2].
What is the InChIKey of copper bis(N-ethyl-4-ethyliminopent-2-en-2-amine)?
The InChIKey is IIGYBVJVGNIWLX-KTHPQDAYSA-N. The full InChI is InChI=1S/2C9H17N2.Cu/c2*1-5-10-8(3)7-9(4)11-6-2;/h2*7,10H,3,5-6H2,1-2,4H3;/q2*-1;+2/b2*8-7?,11-9+;.
What are the key properties of copper bis(N-ethyl-4-ethyliminopent-2-en-2-amine)?
copper bis(N-ethyl-4-ethyliminopent-2-en-2-amine) has a molecular weight of 370.04 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(N-ethyl-4-ethyliminopent-2-en-2-amine) is sourced from PubChem (CID 173341709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).