ethyl-[10-[ethyl(dipyridin-2-yl)azaniumyl]decyl]-dipyridin-2-ylazanium diiodide

C34H46I2N6 — CID 24833044

IUPACethyl-[10-[ethyl(dipyridin-2-yl)azaniumyl]decyl]-dipyridin-2-ylazanium diiodide
SMILESCC[N+](CCCCCCCCCC[N+](CC)(c1ccccn1)c1ccccn1)(c1ccccn1)c1ccccn1.[I-].[I-]
InChIInChI=1S/C34H46N6.2HI/c1-3-39(31-21-11-15-25-35-31,32-22-12-16-26-36-32)29-19-9-7-5-6-8-10-20-30-40(4-2,33-23-13-17-27-37-33)34-24-14-18-28-38-34;;/h11-18,21-28H,3-10,19-20,29-30H2,1-2H3;2*1H/q+2;;/p-2
InChIKeyGGVDJGDVNCOTPT-UHFFFAOYSA-L
MW792.59 g/mol
LogP2.41
Rot. Bonds17

About ethyl-[10-[ethyl(dipyridin-2-yl)azaniumyl]decyl]-dipyridin-2-ylazanium diiodide

ethyl-[10-[ethyl(dipyridin-2-yl)azaniumyl]decyl]-dipyridin-2-ylazanium diiodide (PubChem CID 24833044) has the molecular formula C34H46I2N6 and a molecular weight of 792.59 g/mol. Its IUPAC name is ethyl-[10-[ethyl(dipyridin-2-yl)azaniumyl]decyl]-dipyridin-2-ylazanium diiodide.

Molecular Properties

Compound Nameethyl-[10-[ethyl(dipyridin-2-yl)azaniumyl]decyl]-dipyridin-2-ylazanium diiodide
PubChem CID24833044
Molecular FormulaC34H46I2N6
Molecular Weight792.59 g/mol
Exact Mass792.19
IUPAC Nameethyl-[10-[ethyl(dipyridin-2-yl)azaniumyl]decyl]-dipyridin-2-ylazanium diiodide
SMILESCC[N+](CCCCCCCCCC[N+](CC)(c1ccccn1)c1ccccn1)(c1ccccn1)c1ccccn1.[I-].[I-]
InChIInChI=1S/C34H46N6.2HI/c1-3-39(31-21-11-15-25-35-31,32-22-12-16-26-36-32)29-19-9-7-5-6-8-10-20-30-40(4-2,33-23-13-17-27-37-33)34-24-14-18-28-38-34;;/h11-18,21-28H,3-10,19-20,29-30H2,1-2H3;2*1H/q+2;;/p-2
InChIKeyGGVDJGDVNCOTPT-UHFFFAOYSA-L
XLogP2.41
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500792.59
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

ethyl-octadecyl-diphenylazanium
CID 54523156
CID 174448743
CID 174448743
trimethyl(pyridin-2-yl)azanium hydroxide
CID 139671759
ethyl-icosyl-diphenylazanium hydroxide
CID 70584575
dihexyl(diphenyl)azanium iodide
CID 69305411
diheptyl(diphenyl)azanium iodide
CID 69308025
benzyl-dodecyl-ethyl-methylazanium chloride
CID 22311759
hexadecyl-diphenyl-propylazanium chloride
CID 70520322
2-(benzylamino)ethyl-dimethyl-pyridin-2-ylazanium;hydrochloride
CID 23616715
2-ethylpyridine;sulfane
CID 67363352
dihexyl(diphenyl)azanium
CID 18362526
2-hexadecyltellanylpyridine
CID 10002829

Frequently Asked Questions

What is the IUPAC name of ethyl-[10-[ethyl(dipyridin-2-yl)azaniumyl]decyl]-dipyridin-2-ylazanium diiodide?
The IUPAC name of ethyl-[10-[ethyl(dipyridin-2-yl)azaniumyl]decyl]-dipyridin-2-ylazanium diiodide (CID 24833044) is ethyl-[10-[ethyl(dipyridin-2-yl)azaniumyl]decyl]-dipyridin-2-ylazanium diiodide.
What is the SMILES notation for ethyl-[10-[ethyl(dipyridin-2-yl)azaniumyl]decyl]-dipyridin-2-ylazanium diiodide?
The canonical SMILES for ethyl-[10-[ethyl(dipyridin-2-yl)azaniumyl]decyl]-dipyridin-2-ylazanium diiodide is CC[N+](CCCCCCCCCC[N+](CC)(c1ccccn1)c1ccccn1)(c1ccccn1)c1ccccn1.[I-].[I-].
What is the InChIKey of ethyl-[10-[ethyl(dipyridin-2-yl)azaniumyl]decyl]-dipyridin-2-ylazanium diiodide?
The InChIKey is GGVDJGDVNCOTPT-UHFFFAOYSA-L. The full InChI is InChI=1S/C34H46N6.2HI/c1-3-39(31-21-11-15-25-35-31,32-22-12-16-26-36-32)29-19-9-7-5-6-8-10-20-30-40(4-2,33-23-13-17-27-37-33)34-24-14-18-28-38-34;;/h11-18,21-28H,3-10,19-20,29-30H2,1-2H3;2*1H/q+2;;/p-2.
What are the key properties of ethyl-[10-[ethyl(dipyridin-2-yl)azaniumyl]decyl]-dipyridin-2-ylazanium diiodide?
ethyl-[10-[ethyl(dipyridin-2-yl)azaniumyl]decyl]-dipyridin-2-ylazanium diiodide has a molecular weight of 792.59 g/mol, XLogP of 2.41, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[10-[ethyl(dipyridin-2-yl)azaniumyl]decyl]-dipyridin-2-ylazanium diiodide is sourced from PubChem (CID 24833044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).