copper 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradeca-7,14-diene

C16H32CuN4+2 — CID 6396234

IUPACcopper 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradeca-7,14-diene
SMILESC/C1=N\CCNC(C)(C)C/C(C)=N/CCNC(C)(C)C1.[Cu+2]
InChIInChI=1S/C16H32N4.Cu/c1-13-11-15(3,4)19-10-8-18-14(2)12-16(5,6)20-9-7-17-13;/h19-20H,7-12H2,1-6H3;/q;+2/b17-13+,18-14+;
InChIKeyUPFQLNMIMPRFNS-GPSHETCQSA-N
MW344.01 g/mol
LogP2.44
Rot. Bonds

About copper 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradeca-7,14-diene

copper 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradeca-7,14-diene (PubChem CID 6396234) has the molecular formula C16H32CuN4+2 and a molecular weight of 344.01 g/mol. Its IUPAC name is copper 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradeca-7,14-diene.

Molecular Properties

Compound Namecopper 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradeca-7,14-diene
PubChem CID6396234
Molecular FormulaC16H32CuN4+2
Molecular Weight344.01 g/mol
Exact Mass343.19
IUPAC Namecopper 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradeca-7,14-diene
SMILESC/C1=N\CCNC(C)(C)C/C(C)=N/CCNC(C)(C)C1.[Cu+2]
InChIInChI=1S/C16H32N4.Cu/c1-13-11-15(3,4)19-10-8-18-14(2)12-16(5,6)20-9-7-17-13;/h19-20H,7-12H2,1-6H3;/q;+2/b17-13+,18-14+;
InChIKeyUPFQLNMIMPRFNS-GPSHETCQSA-N
XLogP2.44
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.01
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of copper 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradeca-7,14-diene?
The IUPAC name of copper 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradeca-7,14-diene (CID 6396234) is copper 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradeca-7,14-diene.
What is the SMILES notation for copper 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradeca-7,14-diene?
The canonical SMILES for copper 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradeca-7,14-diene is C/C1=N\CCNC(C)(C)C/C(C)=N/CCNC(C)(C)C1.[Cu+2].
What is the InChIKey of copper 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradeca-7,14-diene?
The InChIKey is UPFQLNMIMPRFNS-GPSHETCQSA-N. The full InChI is InChI=1S/C16H32N4.Cu/c1-13-11-15(3,4)19-10-8-18-14(2)12-16(5,6)20-9-7-17-13;/h19-20H,7-12H2,1-6H3;/q;+2/b17-13+,18-14+;.
What are the key properties of copper 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradeca-7,14-diene?
copper 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradeca-7,14-diene has a molecular weight of 344.01 g/mol, XLogP of 2.44, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradeca-7,14-diene is sourced from PubChem (CID 6396234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).