copper 1,4,8,11-tetrazacyclotetradecane

C10H24CuN4+2 — CID 11966228

IUPACcopper 1,4,8,11-tetrazacyclotetradecane
SMILESC1CNCCNCCCNCCNC1.[Cu+2]
InChIInChI=1S/C10H24N4.Cu/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;/h11-14H,1-10H2;/q;+2
InChIKeyPFFRGXSRPUXLRK-UHFFFAOYSA-N
MW263.88 g/mol
LogP-0.86
Rot. Bonds

About copper 1,4,8,11-tetrazacyclotetradecane

copper 1,4,8,11-tetrazacyclotetradecane (PubChem CID 11966228) has the molecular formula C10H24CuN4+2 and a molecular weight of 263.88 g/mol. Its IUPAC name is copper 1,4,8,11-tetrazacyclotetradecane.

Molecular Properties

Compound Namecopper 1,4,8,11-tetrazacyclotetradecane
PubChem CID11966228
Molecular FormulaC10H24CuN4+2
Molecular Weight263.88 g/mol
Exact Mass263.13
IUPAC Namecopper 1,4,8,11-tetrazacyclotetradecane
SMILESC1CNCCNCCCNCCNC1.[Cu+2]
InChIInChI=1S/C10H24N4.Cu/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;/h11-14H,1-10H2;/q;+2
InChIKeyPFFRGXSRPUXLRK-UHFFFAOYSA-N
XLogP-0.86
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.88
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of copper 1,4,8,11-tetrazacyclotetradecane?
The IUPAC name of copper 1,4,8,11-tetrazacyclotetradecane (CID 11966228) is copper 1,4,8,11-tetrazacyclotetradecane.
What is the SMILES notation for copper 1,4,8,11-tetrazacyclotetradecane?
The canonical SMILES for copper 1,4,8,11-tetrazacyclotetradecane is C1CNCCNCCCNCCNC1.[Cu+2].
What is the InChIKey of copper 1,4,8,11-tetrazacyclotetradecane?
The InChIKey is PFFRGXSRPUXLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4.Cu/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;/h11-14H,1-10H2;/q;+2.
What are the key properties of copper 1,4,8,11-tetrazacyclotetradecane?
copper 1,4,8,11-tetrazacyclotetradecane has a molecular weight of 263.88 g/mol, XLogP of -0.86, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper 1,4,8,11-tetrazacyclotetradecane is sourced from PubChem (CID 11966228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).