bis(diethyl-heptyl-methylazanium);hydrazine;bis(trifluoromethanesulfonate)

C26H60F6N4O6S2 — CID 160864874

IUPACbis(diethyl-heptyl-methylazanium);hydrazine;bis(trifluoromethanesulfonate)
SMILESCCCCCCC[N+](C)(CC)CC.CCCCCCC[N+](C)(CC)CC.NN.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/2C12H28N.2CHF3O3S.H4N2/c2*1-5-8-9-10-11-12-13(4,6-2)7-3;2*2-1(3,4)8(5,6)7;1-2/h2*5-12H2,1-4H3;2*(H,5,6,7);1-2H2/q2*+1;;;/p-2
InChIKeySKYZEWZGHCCKDV-UHFFFAOYSA-L
MW702.91 g/mol
LogP5.81
Rot. Bonds16

About bis(diethyl-heptyl-methylazanium);hydrazine;bis(trifluoromethanesulfonate)

bis(diethyl-heptyl-methylazanium);hydrazine;bis(trifluoromethanesulfonate) (PubChem CID 160864874) has the molecular formula C26H60F6N4O6S2 and a molecular weight of 702.91 g/mol. Its IUPAC name is bis(diethyl-heptyl-methylazanium);hydrazine;bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namebis(diethyl-heptyl-methylazanium);hydrazine;bis(trifluoromethanesulfonate)
PubChem CID160864874
Molecular FormulaC26H60F6N4O6S2
Molecular Weight702.91 g/mol
Exact Mass702.39
IUPAC Namebis(diethyl-heptyl-methylazanium);hydrazine;bis(trifluoromethanesulfonate)
SMILESCCCCCCC[N+](C)(CC)CC.CCCCCCC[N+](C)(CC)CC.NN.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/2C12H28N.2CHF3O3S.H4N2/c2*1-5-8-9-10-11-12-13(4,6-2)7-3;2*2-1(3,4)8(5,6)7;1-2/h2*5-12H2,1-4H3;2*(H,5,6,7);1-2H2/q2*+1;;;/p-2
InChIKeySKYZEWZGHCCKDV-UHFFFAOYSA-L
XLogP5.81
TPSA166.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.91
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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bis(didecyl(dimethyl)azanium);difluoromethanedisulfonate
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ethanesulfonate;tributyl(methyl)azanium
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diethyl(dioctadecyl)azanium;1,1,2,2,2-pentafluoroethanesulfonate
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Frequently Asked Questions

What is the IUPAC name of bis(diethyl-heptyl-methylazanium);hydrazine;bis(trifluoromethanesulfonate)?
The IUPAC name of bis(diethyl-heptyl-methylazanium);hydrazine;bis(trifluoromethanesulfonate) (CID 160864874) is bis(diethyl-heptyl-methylazanium);hydrazine;bis(trifluoromethanesulfonate).
What is the SMILES notation for bis(diethyl-heptyl-methylazanium);hydrazine;bis(trifluoromethanesulfonate)?
The canonical SMILES for bis(diethyl-heptyl-methylazanium);hydrazine;bis(trifluoromethanesulfonate) is CCCCCCC[N+](C)(CC)CC.CCCCCCC[N+](C)(CC)CC.NN.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of bis(diethyl-heptyl-methylazanium);hydrazine;bis(trifluoromethanesulfonate)?
The InChIKey is SKYZEWZGHCCKDV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H28N.2CHF3O3S.H4N2/c2*1-5-8-9-10-11-12-13(4,6-2)7-3;2*2-1(3,4)8(5,6)7;1-2/h2*5-12H2,1-4H3;2*(H,5,6,7);1-2H2/q2*+1;;;/p-2.
What are the key properties of bis(diethyl-heptyl-methylazanium);hydrazine;bis(trifluoromethanesulfonate)?
bis(diethyl-heptyl-methylazanium);hydrazine;bis(trifluoromethanesulfonate) has a molecular weight of 702.91 g/mol, XLogP of 5.81, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diethyl-heptyl-methylazanium);hydrazine;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 160864874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).