copper 1,4,7,10-tetrazacyclododecane

C8H20CuN4+2 — CID 46241917

IUPACcopper 1,4,7,10-tetrazacyclododecane
SMILESC1CNCCNCCNCCN1.[Cu+2]
InChIInChI=1S/C8H20N4.Cu/c1-2-10-5-6-12-8-7-11-4-3-9-1;/h9-12H,1-8H2;/q;+2
InChIKeyHWFOFKLNSUYDHO-UHFFFAOYSA-N
MW235.82 g/mol
LogP-1.64
Rot. Bonds

About copper 1,4,7,10-tetrazacyclododecane

copper 1,4,7,10-tetrazacyclododecane (PubChem CID 46241917) has the molecular formula C8H20CuN4+2 and a molecular weight of 235.82 g/mol. Its IUPAC name is copper 1,4,7,10-tetrazacyclododecane.

Molecular Properties

Compound Namecopper 1,4,7,10-tetrazacyclododecane
PubChem CID46241917
Molecular FormulaC8H20CuN4+2
Molecular Weight235.82 g/mol
Exact Mass235.10
IUPAC Namecopper 1,4,7,10-tetrazacyclododecane
SMILESC1CNCCNCCNCCN1.[Cu+2]
InChIInChI=1S/C8H20N4.Cu/c1-2-10-5-6-12-8-7-11-4-3-9-1;/h9-12H,1-8H2;/q;+2
InChIKeyHWFOFKLNSUYDHO-UHFFFAOYSA-N
XLogP-1.64
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.82
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

copper;1,4,7,10-tetrazacyclododecane;dichloride
CID 3045036
1,4,7,10,13,16,19,22-octazacyclotetracosane
CID 6395032
azane;1,4,7-triazonane
CID 90266240
CID 67656711
CID 67656711
1,4,7,10,13,16-hexazacyclooctadecane;hexahydrate
CID 175372401
CID 87408128
CID 87408128
piperazine;tellane
CID 174387727
cerium;piperazine
CID 175976631
1,4,7-triazonane;pentahydrochloride
CID 75530446
gadolinium(3+);1,4,7,10-tetrazacyclododecane
CID 157413329
copper 1,4,8,11-tetrazacyclotetradecane
CID 11966228
copper;piperazine;dihydrochloride
CID 173325981

Frequently Asked Questions

What is the IUPAC name of copper 1,4,7,10-tetrazacyclododecane?
The IUPAC name of copper 1,4,7,10-tetrazacyclododecane (CID 46241917) is copper 1,4,7,10-tetrazacyclododecane.
What is the SMILES notation for copper 1,4,7,10-tetrazacyclododecane?
The canonical SMILES for copper 1,4,7,10-tetrazacyclododecane is C1CNCCNCCNCCN1.[Cu+2].
What is the InChIKey of copper 1,4,7,10-tetrazacyclododecane?
The InChIKey is HWFOFKLNSUYDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4.Cu/c1-2-10-5-6-12-8-7-11-4-3-9-1;/h9-12H,1-8H2;/q;+2.
What are the key properties of copper 1,4,7,10-tetrazacyclododecane?
copper 1,4,7,10-tetrazacyclododecane has a molecular weight of 235.82 g/mol, XLogP of -1.64, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper 1,4,7,10-tetrazacyclododecane is sourced from PubChem (CID 46241917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).