2-(benzylazaniumyl)ethyl-diethylazanium

C13H24N2+2 — CID 6993599

IUPAC2-(benzylazaniumyl)ethyl-diethylazanium
SMILESCC[NH+](CC)CC[NH2+]Cc1ccccc1
InChIInChI=1S/C13H22N2/c1-3-15(4-2)11-10-14-12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3/p+2
InChIKeyVFXMWBGLBNFTSY-UHFFFAOYSA-P
MW208.35 g/mol
LogP-0.33
Rot. Bonds7

About 2-(benzylazaniumyl)ethyl-diethylazanium

2-(benzylazaniumyl)ethyl-diethylazanium (PubChem CID 6993599) has the molecular formula C13H24N2+2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-(benzylazaniumyl)ethyl-diethylazanium.

Molecular Properties

Compound Name2-(benzylazaniumyl)ethyl-diethylazanium
PubChem CID6993599
Molecular FormulaC13H24N2+2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-(benzylazaniumyl)ethyl-diethylazanium
SMILESCC[NH+](CC)CC[NH2+]Cc1ccccc1
InChIInChI=1S/C13H22N2/c1-3-15(4-2)11-10-14-12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3/p+2
InChIKeyVFXMWBGLBNFTSY-UHFFFAOYSA-P
XLogP-0.33
TPSA21.05 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzyl(butyl)azanium fluoride
CID 161148971
dibenzylazanium iodide
CID 15533239
benzyl-[(4-ethylphenyl)methyl]azanium
CID 7994180
diethyl(18-phenyloctadecyl)azanium chloride
CID 70621392
diethyl(16-phenylhexadecyl)azanium chloride
CID 70621692
benzyl-[2-(benzylamino)ethyl]azanium
CID 3553946
benzyl(18-methylnonadecyl)azanium chloride
CID 57375629
benzyl(18-methylnonadecyl)azanium bromide
CID 87651373
benzyl(pent-2-enyl)azanium hydroxide
CID 139905470
2-anilinoethyl(diethyl)azanium
CID 6950706
benzyl-[[4-[3,5-bis[4-[(benzylazaniumyl)methyl]phenyl]phenyl]phenyl]methyl]azanium
CID 101337215
benzyl-ethyl-[(E)-3-phenylprop-2-enyl]azanium
CID 7320153

Frequently Asked Questions

What is the IUPAC name of 2-(benzylazaniumyl)ethyl-diethylazanium?
The IUPAC name of 2-(benzylazaniumyl)ethyl-diethylazanium (CID 6993599) is 2-(benzylazaniumyl)ethyl-diethylazanium.
What is the SMILES notation for 2-(benzylazaniumyl)ethyl-diethylazanium?
The canonical SMILES for 2-(benzylazaniumyl)ethyl-diethylazanium is CC[NH+](CC)CC[NH2+]Cc1ccccc1.
What is the InChIKey of 2-(benzylazaniumyl)ethyl-diethylazanium?
The InChIKey is VFXMWBGLBNFTSY-UHFFFAOYSA-P. The full InChI is InChI=1S/C13H22N2/c1-3-15(4-2)11-10-14-12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3/p+2.
What are the key properties of 2-(benzylazaniumyl)ethyl-diethylazanium?
2-(benzylazaniumyl)ethyl-diethylazanium has a molecular weight of 208.35 g/mol, XLogP of -0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylazaniumyl)ethyl-diethylazanium is sourced from PubChem (CID 6993599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).