copper-64;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.5.2]pentadecane;dihydrate

C13H32CuN4O2 — CID 59094858

IUPACcopper-64;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.5.2]pentadecane;dihydrate
SMILESCN1CCCN2CCN(C)CCN(CC1)CC2.O.O.[64Cu]
InChIInChI=1S/C13H28N4.Cu.2H2O/c1-14-4-3-5-16-9-7-15(2)8-11-17(10-6-14)13-12-16;;;/h3-13H2,1-2H3;;2*1H2/i;1+0;;
InChIKeyMJNCAJSDSOMKKA-LDHZNIJLSA-N
MW340.35 g/mol
LogP-1.78
Rot. Bonds

About copper-64;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.5.2]pentadecane;dihydrate

copper-64;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.5.2]pentadecane;dihydrate (PubChem CID 59094858) has the molecular formula C13H32CuN4O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is copper-64;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.5.2]pentadecane;dihydrate.

Molecular Properties

Compound Namecopper-64;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.5.2]pentadecane;dihydrate
PubChem CID59094858
Molecular FormulaC13H32CuN4O2
Molecular Weight340.35 g/mol
Exact Mass340.18
IUPAC Namecopper-64;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.5.2]pentadecane;dihydrate
SMILESCN1CCCN2CCN(C)CCN(CC1)CC2.O.O.[64Cu]
InChIInChI=1S/C13H28N4.Cu.2H2O/c1-14-4-3-5-16-9-7-15(2)8-11-17(10-6-14)13-12-16;;;/h3-13H2,1-2H3;;2*1H2/i;1+0;;
InChIKeyMJNCAJSDSOMKKA-LDHZNIJLSA-N
XLogP-1.78
TPSA75.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 5-1.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of copper-64;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.5.2]pentadecane;dihydrate?
The IUPAC name of copper-64;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.5.2]pentadecane;dihydrate (CID 59094858) is copper-64;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.5.2]pentadecane;dihydrate.
What is the SMILES notation for copper-64;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.5.2]pentadecane;dihydrate?
The canonical SMILES for copper-64;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.5.2]pentadecane;dihydrate is CN1CCCN2CCN(C)CCN(CC1)CC2.O.O.[64Cu].
What is the InChIKey of copper-64;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.5.2]pentadecane;dihydrate?
The InChIKey is MJNCAJSDSOMKKA-LDHZNIJLSA-N. The full InChI is InChI=1S/C13H28N4.Cu.2H2O/c1-14-4-3-5-16-9-7-15(2)8-11-17(10-6-14)13-12-16;;;/h3-13H2,1-2H3;;2*1H2/i;1+0;;.
What are the key properties of copper-64;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.5.2]pentadecane;dihydrate?
copper-64;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.5.2]pentadecane;dihydrate has a molecular weight of 340.35 g/mol, XLogP of -1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper-64;4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.5.2]pentadecane;dihydrate is sourced from PubChem (CID 59094858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).