hexanedioate;bis(pyridin-1-ium-2-amine)

C16H22N4O4 — CID 166624740

IUPAChexanedioate;bis(pyridin-1-ium-2-amine)
SMILESNc1cccc[nH+]1.Nc1cccc[nH+]1.O=C([O-])CCCCC(=O)[O-]
InChIInChI=1S/C6H10O4.2C5H6N2/c7-5(8)3-1-2-4-6(9)10;2*6-5-3-1-2-4-7-5/h1-4H2,(H,7,8)(H,9,10);2*1-4H,(H2,6,7)
InChIKeyYWWAVOMPHFASBK-UHFFFAOYSA-N
MW334.38 g/mol
LogP-1.79
Rot. Bonds5

About hexanedioate;bis(pyridin-1-ium-2-amine)

hexanedioate;bis(pyridin-1-ium-2-amine) (PubChem CID 166624740) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is hexanedioate;bis(pyridin-1-ium-2-amine).

Molecular Properties

Compound Namehexanedioate;bis(pyridin-1-ium-2-amine)
PubChem CID166624740
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Namehexanedioate;bis(pyridin-1-ium-2-amine)
SMILESNc1cccc[nH+]1.Nc1cccc[nH+]1.O=C([O-])CCCCC(=O)[O-]
InChIInChI=1S/C6H10O4.2C5H6N2/c7-5(8)3-1-2-4-6(9)10;2*6-5-3-1-2-4-7-5/h1-4H2,(H,7,8)(H,9,10);2*1-4H,(H2,6,7)
InChIKeyYWWAVOMPHFASBK-UHFFFAOYSA-N
XLogP-1.79
TPSA160.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze hexanedioate;bis(pyridin-1-ium-2-amine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butanedioate;bis(quinolin-1-ium)
CID 11538076
3-carboxybenzoate;pyridin-1-ium-2-amine
CID 139145655
strontium hexanedioate
CID 134687758
triazanium;hexanedioate;benzoate
CID 178053899
decanedioate;bis(tin(4+));benzoate
CID 160634216
heptanoate;triphenylsulfanium
CID 87067214
11-[2-(10-carboxylatodecoxy)phenoxy]undecanoate
CID 100934303
potassium 15-phenylpentadecanoate
CID 23717018
tridecanedioate
CID 6994474
magnesium hexanedioate
CID 24074
bis(antimony(3+));tris(pentanedioate)
CID 19376891
cadmium(2+);hexanedioate
CID 19376883

Frequently Asked Questions

What is the IUPAC name of hexanedioate;bis(pyridin-1-ium-2-amine)?
The IUPAC name of hexanedioate;bis(pyridin-1-ium-2-amine) (CID 166624740) is hexanedioate;bis(pyridin-1-ium-2-amine).
What is the SMILES notation for hexanedioate;bis(pyridin-1-ium-2-amine)?
The canonical SMILES for hexanedioate;bis(pyridin-1-ium-2-amine) is Nc1cccc[nH+]1.Nc1cccc[nH+]1.O=C([O-])CCCCC(=O)[O-].
What is the InChIKey of hexanedioate;bis(pyridin-1-ium-2-amine)?
The InChIKey is YWWAVOMPHFASBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.2C5H6N2/c7-5(8)3-1-2-4-6(9)10;2*6-5-3-1-2-4-7-5/h1-4H2,(H,7,8)(H,9,10);2*1-4H,(H2,6,7).
What are the key properties of hexanedioate;bis(pyridin-1-ium-2-amine)?
hexanedioate;bis(pyridin-1-ium-2-amine) has a molecular weight of 334.38 g/mol, XLogP of -1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexanedioate;bis(pyridin-1-ium-2-amine) is sourced from PubChem (CID 166624740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).