copper;1,4,7,10-tetrazacyclododecane;dichloride

C8H20Cl2CuN4 — CID 3045036

IUPACcopper;1,4,7,10-tetrazacyclododecane;dichloride
SMILESC1CNCCNCCNCCN1.[Cl-].[Cl-].[Cu+2]
InChIInChI=1S/C8H20N4.2ClH.Cu/c1-2-10-5-6-12-8-7-11-4-3-9-1;;;/h9-12H,1-8H2;2*1H;/q;;;+2/p-2
InChIKeyRSPANOHJWIOALN-UHFFFAOYSA-L
MW306.73 g/mol
LogP-7.64
Rot. Bonds

About copper;1,4,7,10-tetrazacyclododecane;dichloride

copper;1,4,7,10-tetrazacyclododecane;dichloride (PubChem CID 3045036) has the molecular formula C8H20Cl2CuN4 and a molecular weight of 306.73 g/mol. Its IUPAC name is copper;1,4,7,10-tetrazacyclododecane;dichloride.

Molecular Properties

Compound Namecopper;1,4,7,10-tetrazacyclododecane;dichloride
PubChem CID3045036
Molecular FormulaC8H20Cl2CuN4
Molecular Weight306.73 g/mol
Exact Mass305.04
IUPAC Namecopper;1,4,7,10-tetrazacyclododecane;dichloride
SMILESC1CNCCNCCNCCN1.[Cl-].[Cl-].[Cu+2]
InChIInChI=1S/C8H20N4.2ClH.Cu/c1-2-10-5-6-12-8-7-11-4-3-9-1;;;/h9-12H,1-8H2;2*1H;/q;;;+2/p-2
InChIKeyRSPANOHJWIOALN-UHFFFAOYSA-L
XLogP-7.64
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.73
LogP ≤ 5-7.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of copper;1,4,7,10-tetrazacyclododecane;dichloride?
The IUPAC name of copper;1,4,7,10-tetrazacyclododecane;dichloride (CID 3045036) is copper;1,4,7,10-tetrazacyclododecane;dichloride.
What is the SMILES notation for copper;1,4,7,10-tetrazacyclododecane;dichloride?
The canonical SMILES for copper;1,4,7,10-tetrazacyclododecane;dichloride is C1CNCCNCCNCCN1.[Cl-].[Cl-].[Cu+2].
What is the InChIKey of copper;1,4,7,10-tetrazacyclododecane;dichloride?
The InChIKey is RSPANOHJWIOALN-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H20N4.2ClH.Cu/c1-2-10-5-6-12-8-7-11-4-3-9-1;;;/h9-12H,1-8H2;2*1H;/q;;;+2/p-2.
What are the key properties of copper;1,4,7,10-tetrazacyclododecane;dichloride?
copper;1,4,7,10-tetrazacyclododecane;dichloride has a molecular weight of 306.73 g/mol, XLogP of -7.64, 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;dichloride is sourced from PubChem (CID 3045036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).