6-azaniumylhexylazanium;pentanedioate

C11H24N2O4 — CID 22482637

IUPAC6-azaniumylhexylazanium;pentanedioate
SMILESO=C([O-])CCCC(=O)[O-].[NH3+]CCCCCC[NH3+]
InChIInChI=1S/C6H16N2.C5H8O4/c7-5-3-1-2-4-6-8;6-4(7)2-1-3-5(8)9/h1-8H2;1-3H2,(H,6,7)(H,8,9)
InChIKeyMZXDAWSEWVAFGB-UHFFFAOYSA-N
MW248.32 g/mol
LogP-3.31
Rot. Bonds9

About 6-azaniumylhexylazanium;pentanedioate

6-azaniumylhexylazanium;pentanedioate (PubChem CID 22482637) has the molecular formula C11H24N2O4 and a molecular weight of 248.32 g/mol. Its IUPAC name is 6-azaniumylhexylazanium;pentanedioate.

Molecular Properties

Compound Name6-azaniumylhexylazanium;pentanedioate
PubChem CID22482637
Molecular FormulaC11H24N2O4
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Name6-azaniumylhexylazanium;pentanedioate
SMILESO=C([O-])CCCC(=O)[O-].[NH3+]CCCCCC[NH3+]
InChIInChI=1S/C6H16N2.C5H8O4/c7-5-3-1-2-4-6-8;6-4(7)2-1-3-5(8)9/h1-8H2;1-3H2,(H,6,7)(H,8,9)
InChIKeyMZXDAWSEWVAFGB-UHFFFAOYSA-N
XLogP-3.31
TPSA135.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 5-3.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

dodecylazanium;octadecanoate
CID 21217555
nonylazanium;octadecanoate
CID 21217491
cadmium(2+);pentanedioate
CID 19376914
bis(antimony(3+));tris(pentanedioate)
CID 19376891
tridecanedioate
CID 6994474
(Z)-octadec-9-enoate;octylazanium
CID 135289707
disodium;undecanedioate
CID 15107599
dipotassium;octadecanedioate
CID 141466899
decanedioate dichloride
CID 21256251
calcium decanedioate
CID 11637296
disodium;pentanedioate;hydrochloride
CID 175525255
dibismuth;tris(nonanedioate)
CID 173224370

Frequently Asked Questions

What is the IUPAC name of 6-azaniumylhexylazanium;pentanedioate?
The IUPAC name of 6-azaniumylhexylazanium;pentanedioate (CID 22482637) is 6-azaniumylhexylazanium;pentanedioate.
What is the SMILES notation for 6-azaniumylhexylazanium;pentanedioate?
The canonical SMILES for 6-azaniumylhexylazanium;pentanedioate is O=C([O-])CCCC(=O)[O-].[NH3+]CCCCCC[NH3+].
What is the InChIKey of 6-azaniumylhexylazanium;pentanedioate?
The InChIKey is MZXDAWSEWVAFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.C5H8O4/c7-5-3-1-2-4-6-8;6-4(7)2-1-3-5(8)9/h1-8H2;1-3H2,(H,6,7)(H,8,9).
What are the key properties of 6-azaniumylhexylazanium;pentanedioate?
6-azaniumylhexylazanium;pentanedioate has a molecular weight of 248.32 g/mol, XLogP of -3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaniumylhexylazanium;pentanedioate is sourced from PubChem (CID 22482637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).