copper bis((1Z)-N-ethyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine)

C18H30CuN4 — CID 139121725

IUPACcopper bis((1Z)-N-ethyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine)
SMILESCC/N=C(C)/C=C1/CCC[N-]1.CC/N=C(C)/C=C1/CCC[N-]1.[Cu+2]
InChIInChI=1S/2C9H15N2.Cu/c2*1-3-10-8(2)7-9-5-4-6-11-9;/h2*7H,3-6H2,1-2H3;/q2*-1;+2/b2*9-7-,10-8+;
InChIKeyKNICXQMOQFRTDC-BXLLYRFZSA-N
MW366.01 g/mol
LogP5.03
Rot. Bonds4

About copper bis((1Z)-N-ethyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine)

copper bis((1Z)-N-ethyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine) (PubChem CID 139121725) has the molecular formula C18H30CuN4 and a molecular weight of 366.01 g/mol. Its IUPAC name is copper bis((1Z)-N-ethyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine).

Molecular Properties

Compound Namecopper bis((1Z)-N-ethyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine)
PubChem CID139121725
Molecular FormulaC18H30CuN4
Molecular Weight366.01 g/mol
Exact Mass365.18
IUPAC Namecopper bis((1Z)-N-ethyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine)
SMILESCC/N=C(C)/C=C1/CCC[N-]1.CC/N=C(C)/C=C1/CCC[N-]1.[Cu+2]
InChIInChI=1S/2C9H15N2.Cu/c2*1-3-10-8(2)7-9-5-4-6-11-9;/h2*7H,3-6H2,1-2H3;/q2*-1;+2/b2*9-7-,10-8+;
InChIKeyKNICXQMOQFRTDC-BXLLYRFZSA-N
XLogP5.03
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.01
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper bis((1Z)-N-ethyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine)?
The IUPAC name of copper bis((1Z)-N-ethyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine) (CID 139121725) is copper bis((1Z)-N-ethyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine).
What is the SMILES notation for copper bis((1Z)-N-ethyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine)?
The canonical SMILES for copper bis((1Z)-N-ethyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine) is CC/N=C(C)/C=C1/CCC[N-]1.CC/N=C(C)/C=C1/CCC[N-]1.[Cu+2].
What is the InChIKey of copper bis((1Z)-N-ethyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine)?
The InChIKey is KNICXQMOQFRTDC-BXLLYRFZSA-N. The full InChI is InChI=1S/2C9H15N2.Cu/c2*1-3-10-8(2)7-9-5-4-6-11-9;/h2*7H,3-6H2,1-2H3;/q2*-1;+2/b2*9-7-,10-8+;.
What are the key properties of copper bis((1Z)-N-ethyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine)?
copper bis((1Z)-N-ethyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine) has a molecular weight of 366.01 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis((1Z)-N-ethyl-1-pyrrolidin-1-id-2-ylidenepropan-2-imine) is sourced from PubChem (CID 139121725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).