methyl-[[methyl-[[methyl(methylazanidylmethyl)amino]methyl]amino]methyl]azanide;rhenium;1,3,5,7-tetramethyl-1,3,5,7-tetrazocane

C15H38N8Re2-2 — CID 157067764

IUPACmethyl-[[methyl-[[methyl(methylazanidylmethyl)amino]methyl]amino]methyl]azanide;rhenium;1,3,5,7-tetramethyl-1,3,5,7-tetrazocane
SMILESCN1CN(C)CN(C)CN(C)C1.C[N-]CN(C)CN(C)C[N-]C.[Re].[Re]
InChIInChI=1S/C8H20N4.C7H18N4.2Re/c1-9-5-10(2)7-12(4)8-11(3)6-9;1-8-5-10(3)7-11(4)6-9-2;;/h5-8H2,1-4H3;5-7H2,1-4H3;;/q;-2;;
InChIKeyYEDMOOOJZTXUKW-UHFFFAOYSA-N
MW702.94 g/mol
LogP0.28
Rot. Bonds6

About methyl-[[methyl-[[methyl(methylazanidylmethyl)amino]methyl]amino]methyl]azanide;rhenium;1,3,5,7-tetramethyl-1,3,5,7-tetrazocane

methyl-[[methyl-[[methyl(methylazanidylmethyl)amino]methyl]amino]methyl]azanide;rhenium;1,3,5,7-tetramethyl-1,3,5,7-tetrazocane (PubChem CID 157067764) has the molecular formula C15H38N8Re2-2 and a molecular weight of 702.94 g/mol. Its IUPAC name is methyl-[[methyl-[[methyl(methylazanidylmethyl)amino]methyl]amino]methyl]azanide;rhenium;1,3,5,7-tetramethyl-1,3,5,7-tetrazocane.

Molecular Properties

Compound Namemethyl-[[methyl-[[methyl(methylazanidylmethyl)amino]methyl]amino]methyl]azanide;rhenium;1,3,5,7-tetramethyl-1,3,5,7-tetrazocane
PubChem CID157067764
Molecular FormulaC15H38N8Re2-2
Molecular Weight702.94 g/mol
Exact Mass704.23
IUPAC Namemethyl-[[methyl-[[methyl(methylazanidylmethyl)amino]methyl]amino]methyl]azanide;rhenium;1,3,5,7-tetramethyl-1,3,5,7-tetrazocane
SMILESCN1CN(C)CN(C)CN(C)C1.C[N-]CN(C)CN(C)C[N-]C.[Re].[Re]
InChIInChI=1S/C8H20N4.C7H18N4.2Re/c1-9-5-10(2)7-12(4)8-11(3)6-9;1-8-5-10(3)7-11(4)6-9-2;;/h5-8H2,1-4H3;5-7H2,1-4H3;;/q;-2;;
InChIKeyYEDMOOOJZTXUKW-UHFFFAOYSA-N
XLogP0.28
TPSA47.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500702.94
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methane;methyl-[[methyl(methylazanidylmethyl)amino]methyl]azanide;rhenium;1,3,5-trimethyl-1,3,5-triazinane
CID 157112294
1-ethoxy-3,5-dimethyl-1,3,5-triazinane
CID 89352923
benzene;1,3-dimethyl-1,3-diazetidine;ethane
CID 167591443
trichlorochromium(1+);1,3,5-trimethyl-1,3,5-triazinane
CID 87195451
1,3-dimethyl-1,3-diazetidine;1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;methane
CID 157314435
3,5-dimethyl-1,3,5-triazinan-1-amine
CID 141002820
potassium;ethane;methyl-[2-(4-methylpiperazin-1-yl)ethyl]azanide
CID 144961213
1-(2-azidoethyl)-3,5-dimethyl-1,3,5-triazinane
CID 158521253
1,3,5-trimethyl-1,3,5-triazecane
CID 154027653
1,3,6-trimethyl-1,3,6-triazecane
CID 154027654
2-N,2-N'-diethyl-2-N,2-N',1,3,6-pentamethyl-1,3,6-triazocane-2,2-diamine
CID 162281630
ethane;1,2,4-trimethyl-1,2,4-triazolidine
CID 123525370

Frequently Asked Questions

What is the IUPAC name of methyl-[[methyl-[[methyl(methylazanidylmethyl)amino]methyl]amino]methyl]azanide;rhenium;1,3,5,7-tetramethyl-1,3,5,7-tetrazocane?
The IUPAC name of methyl-[[methyl-[[methyl(methylazanidylmethyl)amino]methyl]amino]methyl]azanide;rhenium;1,3,5,7-tetramethyl-1,3,5,7-tetrazocane (CID 157067764) is methyl-[[methyl-[[methyl(methylazanidylmethyl)amino]methyl]amino]methyl]azanide;rhenium;1,3,5,7-tetramethyl-1,3,5,7-tetrazocane.
What is the SMILES notation for methyl-[[methyl-[[methyl(methylazanidylmethyl)amino]methyl]amino]methyl]azanide;rhenium;1,3,5,7-tetramethyl-1,3,5,7-tetrazocane?
The canonical SMILES for methyl-[[methyl-[[methyl(methylazanidylmethyl)amino]methyl]amino]methyl]azanide;rhenium;1,3,5,7-tetramethyl-1,3,5,7-tetrazocane is CN1CN(C)CN(C)CN(C)C1.C[N-]CN(C)CN(C)C[N-]C.[Re].[Re].
What is the InChIKey of methyl-[[methyl-[[methyl(methylazanidylmethyl)amino]methyl]amino]methyl]azanide;rhenium;1,3,5,7-tetramethyl-1,3,5,7-tetrazocane?
The InChIKey is YEDMOOOJZTXUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4.C7H18N4.2Re/c1-9-5-10(2)7-12(4)8-11(3)6-9;1-8-5-10(3)7-11(4)6-9-2;;/h5-8H2,1-4H3;5-7H2,1-4H3;;/q;-2;;.
What are the key properties of methyl-[[methyl-[[methyl(methylazanidylmethyl)amino]methyl]amino]methyl]azanide;rhenium;1,3,5,7-tetramethyl-1,3,5,7-tetrazocane?
methyl-[[methyl-[[methyl(methylazanidylmethyl)amino]methyl]amino]methyl]azanide;rhenium;1,3,5,7-tetramethyl-1,3,5,7-tetrazocane has a molecular weight of 702.94 g/mol, XLogP of 0.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[methyl-[[methyl(methylazanidylmethyl)amino]methyl]amino]methyl]azanide;rhenium;1,3,5,7-tetramethyl-1,3,5,7-tetrazocane is sourced from PubChem (CID 157067764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).