manganese(2+);bis(1-methyl-1,4,7,10,13-pentazacyclopentadecane);dichloride

C22H54Cl2MnN10 — CID 67603621

IUPACmanganese(2+);bis(1-methyl-1,4,7,10,13-pentazacyclopentadecane);dichloride
SMILESCN1CCNCCNCCNCCNCC1.CN1CCNCCNCCNCCNCC1.[Cl-].[Cl-].[Mn+2]
InChIInChI=1S/2C11H27N5.2ClH.Mn/c2*1-16-10-8-14-6-4-12-2-3-13-5-7-15-9-11-16;;;/h2*12-15H,2-11H2,1H3;2*1H;/q;;;;+2/p-2
InChIKeyOBGWLANJOCOJFY-UHFFFAOYSA-L
MW584.59 g/mol
LogP-9.41
Rot. Bonds

About manganese(2+);bis(1-methyl-1,4,7,10,13-pentazacyclopentadecane);dichloride

manganese(2+);bis(1-methyl-1,4,7,10,13-pentazacyclopentadecane);dichloride (PubChem CID 67603621) has the molecular formula C22H54Cl2MnN10 and a molecular weight of 584.59 g/mol. Its IUPAC name is manganese(2+);bis(1-methyl-1,4,7,10,13-pentazacyclopentadecane);dichloride.

Molecular Properties

Compound Namemanganese(2+);bis(1-methyl-1,4,7,10,13-pentazacyclopentadecane);dichloride
PubChem CID67603621
Molecular FormulaC22H54Cl2MnN10
Molecular Weight584.59 g/mol
Exact Mass583.33
IUPAC Namemanganese(2+);bis(1-methyl-1,4,7,10,13-pentazacyclopentadecane);dichloride
SMILESCN1CCNCCNCCNCCNCC1.CN1CCNCCNCCNCCNCC1.[Cl-].[Cl-].[Mn+2]
InChIInChI=1S/2C11H27N5.2ClH.Mn/c2*1-16-10-8-14-6-4-12-2-3-13-5-7-15-9-11-16;;;/h2*12-15H,2-11H2,1H3;2*1H;/q;;;;+2/p-2
InChIKeyOBGWLANJOCOJFY-UHFFFAOYSA-L
XLogP-9.41
TPSA102.72 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.59
LogP ≤ 5-9.41
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

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Related Compounds

1-methyl-1,4,7,10,13-pentazacyclopentadecane
CID 18705592
1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
CID 13461315
ethane;1-methylpiperazine
CID 91350928
alumane;1-methylpiperazine
CID 173336720
1-methylpiperazine;dihydrochloride
CID 2734715
1-methylpiperazine;hydrate
CID 23128681
cyclopropane;1-methylpiperazine
CID 166166790
potassium;hydride;1-methylpiperazine
CID 174652278
ethane;methane;1-methylpiperazine
CID 142051303
1-methylpiperazine;piperazine;piperidine;pyrrolidine
CID 158850243
7-methyl-1,4,7,10,13-pentazabicyclo[11.2.2]heptadecane
CID 58730173
4,7-dimethyl-1,4,7,10-tetrazacyclotridecane
CID 152746949

Frequently Asked Questions

What is the IUPAC name of manganese(2+);bis(1-methyl-1,4,7,10,13-pentazacyclopentadecane);dichloride?
The IUPAC name of manganese(2+);bis(1-methyl-1,4,7,10,13-pentazacyclopentadecane);dichloride (CID 67603621) is manganese(2+);bis(1-methyl-1,4,7,10,13-pentazacyclopentadecane);dichloride.
What is the SMILES notation for manganese(2+);bis(1-methyl-1,4,7,10,13-pentazacyclopentadecane);dichloride?
The canonical SMILES for manganese(2+);bis(1-methyl-1,4,7,10,13-pentazacyclopentadecane);dichloride is CN1CCNCCNCCNCCNCC1.CN1CCNCCNCCNCCNCC1.[Cl-].[Cl-].[Mn+2].
What is the InChIKey of manganese(2+);bis(1-methyl-1,4,7,10,13-pentazacyclopentadecane);dichloride?
The InChIKey is OBGWLANJOCOJFY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H27N5.2ClH.Mn/c2*1-16-10-8-14-6-4-12-2-3-13-5-7-15-9-11-16;;;/h2*12-15H,2-11H2,1H3;2*1H;/q;;;;+2/p-2.
What are the key properties of manganese(2+);bis(1-methyl-1,4,7,10,13-pentazacyclopentadecane);dichloride?
manganese(2+);bis(1-methyl-1,4,7,10,13-pentazacyclopentadecane);dichloride has a molecular weight of 584.59 g/mol, XLogP of -9.41, 0 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);bis(1-methyl-1,4,7,10,13-pentazacyclopentadecane);dichloride is sourced from PubChem (CID 67603621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).