butane;bis(1,3-diethylpyrrolidin-1-ium);dihydroxide

C20H48N2O2 — CID 159009313

IUPACbutane;bis(1,3-diethylpyrrolidin-1-ium);dihydroxide
SMILESCCC1CC[NH+](CC)C1.CCC1CC[NH+](CC)C1.CCCC.[OH-].[OH-]
InChIInChI=1S/2C8H17N.C4H10.2H2O/c2*1-3-8-5-6-9(4-2)7-8;1-3-4-2;;/h2*8H,3-7H2,1-2H3;3-4H2,1-2H3;2*1H2
InChIKeyMYRZJPDOMSBOBC-UHFFFAOYSA-N
MW348.62 g/mol
LogP2.10
Rot. Bonds5

About butane;bis(1,3-diethylpyrrolidin-1-ium);dihydroxide

butane;bis(1,3-diethylpyrrolidin-1-ium);dihydroxide (PubChem CID 159009313) has the molecular formula C20H48N2O2 and a molecular weight of 348.62 g/mol. Its IUPAC name is butane;bis(1,3-diethylpyrrolidin-1-ium);dihydroxide.

Molecular Properties

Compound Namebutane;bis(1,3-diethylpyrrolidin-1-ium);dihydroxide
PubChem CID159009313
Molecular FormulaC20H48N2O2
Molecular Weight348.62 g/mol
Exact Mass348.37
IUPAC Namebutane;bis(1,3-diethylpyrrolidin-1-ium);dihydroxide
SMILESCCC1CC[NH+](CC)C1.CCC1CC[NH+](CC)C1.CCCC.[OH-].[OH-]
InChIInChI=1S/2C8H17N.C4H10.2H2O/c2*1-3-8-5-6-9(4-2)7-8;1-3-4-2;;/h2*8H,3-7H2,1-2H3;3-4H2,1-2H3;2*1H2
InChIKeyMYRZJPDOMSBOBC-UHFFFAOYSA-N
XLogP2.10
TPSA68.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.62
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-propylpyrrolidin-1-ium cyanide
CID 171569840
1-decyl-3-ethylpyrrolidin-1-ium;methanesulfonate
CID 171570752
1-dodecyl-3-ethylpyrrolidin-1-ium acetate
CID 171570297
(1-ethylpiperidin-1-ium-4-yl)methylazanium
CID 7018114
1-butyl-3-ethylpiperidin-1-ium fluoride
CID 171571636
3-ethyl-1-nonylpyrrolidin-1-ium;trifluoromethanesulfonate
CID 171616036
3-butyl-1-pentylpyrrolidin-1-ium fluoride
CID 171570680
3-butyl-1-octylpyrrolidin-1-ium fluoride
CID 171571275
1,3-di(tridecyl)pyrrolidin-1-ium bromide
CID 162511807
1,3-di(nonadecyl)pyrrolidin-1-ium bromide
CID 162511830
1,3-di(tetradecyl)pyrrolidin-1-ium chloride
CID 162511911
1-dodecyl-3-ethylpiperidin-1-ium cyanide
CID 171569818

Frequently Asked Questions

What is the IUPAC name of butane;bis(1,3-diethylpyrrolidin-1-ium);dihydroxide?
The IUPAC name of butane;bis(1,3-diethylpyrrolidin-1-ium);dihydroxide (CID 159009313) is butane;bis(1,3-diethylpyrrolidin-1-ium);dihydroxide.
What is the SMILES notation for butane;bis(1,3-diethylpyrrolidin-1-ium);dihydroxide?
The canonical SMILES for butane;bis(1,3-diethylpyrrolidin-1-ium);dihydroxide is CCC1CC[NH+](CC)C1.CCC1CC[NH+](CC)C1.CCCC.[OH-].[OH-].
What is the InChIKey of butane;bis(1,3-diethylpyrrolidin-1-ium);dihydroxide?
The InChIKey is MYRZJPDOMSBOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H17N.C4H10.2H2O/c2*1-3-8-5-6-9(4-2)7-8;1-3-4-2;;/h2*8H,3-7H2,1-2H3;3-4H2,1-2H3;2*1H2.
What are the key properties of butane;bis(1,3-diethylpyrrolidin-1-ium);dihydroxide?
butane;bis(1,3-diethylpyrrolidin-1-ium);dihydroxide has a molecular weight of 348.62 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;bis(1,3-diethylpyrrolidin-1-ium);dihydroxide is sourced from PubChem (CID 159009313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).