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

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Related Compounds

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CID 15800439
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CID 6396556
2-(1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-4-yl)acetaldehyde
CID 165084885
7-methyl-1,4,7,10,13-pentazabicyclo[11.2.2]heptadecane
CID 58730173
1,4,7,9,11,14,19-heptazatricyclo[7.7.4.24,14]docosane
CID 102300822
1-methyl-1,4-diazepane
CID 161378839
1-(2-pyrrolidin-1-ylethyl)-1,4-diazepane
CID 2772404
1,5,9,13,17-pentazacycloicosane
CID 20533697
1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine
CID 158347014
1-methylpiperazine;bis(piperidine);pyrrolidine
CID 164970111
1,5-diazonan-1-ylphosphane
CID 89030941
1,4-diiodo-1,4,8,12-tetrazacyclopentadecane
CID 143562163

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).