ethane;methane;4-methylmorpholine;1-methylpiperazin-4-ide;bis(1-methylpiperidine);1-methylpyrrolidin-2-one;rubidium(1+)

C34H81N6O2Rb — CID 159887928

IUPACethane;methane;4-methylmorpholine;1-methylpiperazin-4-ide;bis(1-methylpiperidine);1-methylpyrrolidin-2-one;rubidium(1+)
SMILESC.C.C.CC.CC.CN1CCCC1=O.CN1CCCCC1.CN1CCCCC1.CN1CCOCC1.CN1CC[N-]CC1.[Rb+]
InChIInChI=1S/2C6H13N.C5H11N2.C5H11NO.C5H9NO.2C2H6.3CH4.Rb/c2*1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5(6)7;2*1-2;;;;/h2*2-6H2,1H3;2*2-5H2,1H3;2-4H2,1H3;2*1-2H3;3*1H4;/q;;-1;;;;;;;;+1
InChIKeyNUJHXOMRVACYKR-UHFFFAOYSA-N
MW691.53 g/mol
LogP3.66
Rot. Bonds

About ethane;methane;4-methylmorpholine;1-methylpiperazin-4-ide;bis(1-methylpiperidine);1-methylpyrrolidin-2-one;rubidium(1+)

ethane;methane;4-methylmorpholine;1-methylpiperazin-4-ide;bis(1-methylpiperidine);1-methylpyrrolidin-2-one;rubidium(1+) (PubChem CID 159887928) has the molecular formula C34H81N6O2Rb and a molecular weight of 691.53 g/mol. Its IUPAC name is ethane;methane;4-methylmorpholine;1-methylpiperazin-4-ide;bis(1-methylpiperidine);1-methylpyrrolidin-2-one;rubidium(1+).

Molecular Properties

Compound Nameethane;methane;4-methylmorpholine;1-methylpiperazin-4-ide;bis(1-methylpiperidine);1-methylpyrrolidin-2-one;rubidium(1+)
PubChem CID159887928
Molecular FormulaC34H81N6O2Rb
Molecular Weight691.53 g/mol
Exact Mass690.55
IUPAC Nameethane;methane;4-methylmorpholine;1-methylpiperazin-4-ide;bis(1-methylpiperidine);1-methylpyrrolidin-2-one;rubidium(1+)
SMILESC.C.C.CC.CC.CN1CCCC1=O.CN1CCCCC1.CN1CCCCC1.CN1CCOCC1.CN1CC[N-]CC1.[Rb+]
InChIInChI=1S/2C6H13N.C5H11N2.C5H11NO.C5H9NO.2C2H6.3CH4.Rb/c2*1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5(6)7;2*1-2;;;;/h2*2-6H2,1H3;2*2-5H2,1H3;2-4H2,1H3;2*1-2H3;3*1H4;/q;;-1;;;;;;;;+1
InChIKeyNUJHXOMRVACYKR-UHFFFAOYSA-N
XLogP3.66
TPSA56.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500691.53
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 161083681
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CID 170438379
ethane;tris(1-methylazepane);1-methyl-2-methylideneazepane;bis(1-methylpiperidine);1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one
CID 160509410
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CID 158818111
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CID 159100546
CID 174856842
CID 174856842
methanethiol;1-methylpyrrolidin-2-one
CID 174894965
1-methyl-1-aza-4-azanidacycloheptane
CID 143249518
ethylcyclohexane;4-ethyloxane;4-ethylpiperidine;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;1-methylpyrrolidin-2-one
CID 164982416
1-methylpyrrolidin-2-one;urea
CID 141281161
1,4-dimethylpiperazine;methanamine;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine
CID 158044460

Frequently Asked Questions

What is the IUPAC name of ethane;methane;4-methylmorpholine;1-methylpiperazin-4-ide;bis(1-methylpiperidine);1-methylpyrrolidin-2-one;rubidium(1+)?
The IUPAC name of ethane;methane;4-methylmorpholine;1-methylpiperazin-4-ide;bis(1-methylpiperidine);1-methylpyrrolidin-2-one;rubidium(1+) (CID 159887928) is ethane;methane;4-methylmorpholine;1-methylpiperazin-4-ide;bis(1-methylpiperidine);1-methylpyrrolidin-2-one;rubidium(1+).
What is the SMILES notation for ethane;methane;4-methylmorpholine;1-methylpiperazin-4-ide;bis(1-methylpiperidine);1-methylpyrrolidin-2-one;rubidium(1+)?
The canonical SMILES for ethane;methane;4-methylmorpholine;1-methylpiperazin-4-ide;bis(1-methylpiperidine);1-methylpyrrolidin-2-one;rubidium(1+) is C.C.C.CC.CC.CN1CCCC1=O.CN1CCCCC1.CN1CCCCC1.CN1CCOCC1.CN1CC[N-]CC1.[Rb+].
What is the InChIKey of ethane;methane;4-methylmorpholine;1-methylpiperazin-4-ide;bis(1-methylpiperidine);1-methylpyrrolidin-2-one;rubidium(1+)?
The InChIKey is NUJHXOMRVACYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13N.C5H11N2.C5H11NO.C5H9NO.2C2H6.3CH4.Rb/c2*1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5(6)7;2*1-2;;;;/h2*2-6H2,1H3;2*2-5H2,1H3;2-4H2,1H3;2*1-2H3;3*1H4;/q;;-1;;;;;;;;+1.
What are the key properties of ethane;methane;4-methylmorpholine;1-methylpiperazin-4-ide;bis(1-methylpiperidine);1-methylpyrrolidin-2-one;rubidium(1+)?
ethane;methane;4-methylmorpholine;1-methylpiperazin-4-ide;bis(1-methylpiperidine);1-methylpyrrolidin-2-one;rubidium(1+) has a molecular weight of 691.53 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;4-methylmorpholine;1-methylpiperazin-4-ide;bis(1-methylpiperidine);1-methylpyrrolidin-2-one;rubidium(1+) is sourced from PubChem (CID 159887928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).