manganese(2+);1,4,8,11-tetrazabicyclo[6.6.2]hexadecane

C12H26MnN4+2 — CID 159257789

IUPACmanganese(2+);1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
SMILESC1CNCCN2CCCNCCN(C1)CC2.[Mn+2]
InChIInChI=1S/C12H26N4.Mn/c1-3-13-5-10-16-8-2-4-14-6-9-15(7-1)11-12-16;/h13-14H,1-12H2;/q;+2
InChIKeyKWCUYELONNYTTQ-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.43
Rot. Bonds

About manganese(2+);1,4,8,11-tetrazabicyclo[6.6.2]hexadecane

manganese(2+);1,4,8,11-tetrazabicyclo[6.6.2]hexadecane (PubChem CID 159257789) has the molecular formula C12H26MnN4+2 and a molecular weight of 281.31 g/mol. Its IUPAC name is manganese(2+);1,4,8,11-tetrazabicyclo[6.6.2]hexadecane.

Molecular Properties

Compound Namemanganese(2+);1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
PubChem CID159257789
Molecular FormulaC12H26MnN4+2
Molecular Weight281.31 g/mol
Exact Mass281.15
IUPAC Namemanganese(2+);1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
SMILESC1CNCCN2CCCNCCN(C1)CC2.[Mn+2]
InChIInChI=1S/C12H26N4.Mn/c1-3-13-5-10-16-8-2-4-14-6-9-15(7-1)11-12-16;/h13-14H,1-12H2;/q;+2
InChIKeyKWCUYELONNYTTQ-UHFFFAOYSA-N
XLogP-0.43
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze manganese(2+);1,4,8,11-tetrazabicyclo[6.6.2]hexadecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of manganese(2+);1,4,8,11-tetrazabicyclo[6.6.2]hexadecane?
The IUPAC name of manganese(2+);1,4,8,11-tetrazabicyclo[6.6.2]hexadecane (CID 159257789) is manganese(2+);1,4,8,11-tetrazabicyclo[6.6.2]hexadecane.
What is the SMILES notation for manganese(2+);1,4,8,11-tetrazabicyclo[6.6.2]hexadecane?
The canonical SMILES for manganese(2+);1,4,8,11-tetrazabicyclo[6.6.2]hexadecane is C1CNCCN2CCCNCCN(C1)CC2.[Mn+2].
What is the InChIKey of manganese(2+);1,4,8,11-tetrazabicyclo[6.6.2]hexadecane?
The InChIKey is KWCUYELONNYTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4.Mn/c1-3-13-5-10-16-8-2-4-14-6-9-15(7-1)11-12-16;/h13-14H,1-12H2;/q;+2.
What are the key properties of manganese(2+);1,4,8,11-tetrazabicyclo[6.6.2]hexadecane?
manganese(2+);1,4,8,11-tetrazabicyclo[6.6.2]hexadecane has a molecular weight of 281.31 g/mol, XLogP of -0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);1,4,8,11-tetrazabicyclo[6.6.2]hexadecane is sourced from PubChem (CID 159257789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).