benzeneselenolate;2-(dimethylazaniumyl)ethyl-dimethylazanium

C18H28N2Se2 — CID 139058006

IUPACbenzeneselenolate;2-(dimethylazaniumyl)ethyl-dimethylazanium
SMILESC[NH+](C)CC[NH+](C)C.[Se-]c1ccccc1.[Se-]c1ccccc1
InChIInChI=1S/C6H16N2.2C6H6Se/c1-7(2)5-6-8(3)4;2*7-6-4-2-1-3-5-6/h5-6H2,1-4H3;2*1-5,7H
InChIKeyUPIQZLMVMSYVPQ-UHFFFAOYSA-N
MW430.36 g/mol
LogP-1.76
Rot. Bonds3

About benzeneselenolate;2-(dimethylazaniumyl)ethyl-dimethylazanium

benzeneselenolate;2-(dimethylazaniumyl)ethyl-dimethylazanium (PubChem CID 139058006) has the molecular formula C18H28N2Se2 and a molecular weight of 430.36 g/mol. Its IUPAC name is benzeneselenolate;2-(dimethylazaniumyl)ethyl-dimethylazanium.

Molecular Properties

Compound Namebenzeneselenolate;2-(dimethylazaniumyl)ethyl-dimethylazanium
PubChem CID139058006
Molecular FormulaC18H28N2Se2
Molecular Weight430.36 g/mol
Exact Mass432.06
IUPAC Namebenzeneselenolate;2-(dimethylazaniumyl)ethyl-dimethylazanium
SMILESC[NH+](C)CC[NH+](C)C.[Se-]c1ccccc1.[Se-]c1ccccc1
InChIInChI=1S/C6H16N2.2C6H6Se/c1-7(2)5-6-8(3)4;2*7-6-4-2-1-3-5-6/h5-6H2,1-4H3;2*1-5,7H
InChIKeyUPIQZLMVMSYVPQ-UHFFFAOYSA-N
XLogP-1.76
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.36
LogP ≤ 5-1.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-((2-(Diethylamino)ethyl)amino)ethyl)diphenyl-phosphine
CID 129696109
1,4-Bis(3-phenylselanylpropyl)piperazine
CID 44521289
(1S)-1-[methyl(diphenyl)silyl]-N'-propan-2-ylethane-1,2-diamine
CID 11277944
Diallylammonium diphenyldiselenophosphinate
CID 129770452
Diethylaminoethyl-2-di-phenylarsinoethylamine
CID 129772078
N-(1-diphenylphosphanylpropan-2-yl)-N',N'-diethylethane-1,2-diamine
CID 134926205
N'-(1-diphenylphosphanylpropan-2-yl)-N,N'-diethylethane-1,2-diamine
CID 134927124
N'-(1-diphenylphosphanylpropan-2-yl)ethane-1,2-diamine
CID 134927125
lithium;methanidyl(diphenyl)borane;N,N,N',N'-tetramethylethane-1,2-diamine
CID 135048648
benzeneselenolate;cadmium(2+);N,N,N',N'-tetramethylethane-1,2-diamine
CID 139129590
[Ph2B(CH2NMe2)2][H]
CID 139133424
bis(N-methylmethanamine);phenyltellanylbenzene
CID 139266264

Frequently Asked Questions

What is the IUPAC name of benzeneselenolate;2-(dimethylazaniumyl)ethyl-dimethylazanium?
The IUPAC name of benzeneselenolate;2-(dimethylazaniumyl)ethyl-dimethylazanium (CID 139058006) is benzeneselenolate;2-(dimethylazaniumyl)ethyl-dimethylazanium.
What is the SMILES notation for benzeneselenolate;2-(dimethylazaniumyl)ethyl-dimethylazanium?
The canonical SMILES for benzeneselenolate;2-(dimethylazaniumyl)ethyl-dimethylazanium is C[NH+](C)CC[NH+](C)C.[Se-]c1ccccc1.[Se-]c1ccccc1.
What is the InChIKey of benzeneselenolate;2-(dimethylazaniumyl)ethyl-dimethylazanium?
The InChIKey is UPIQZLMVMSYVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.2C6H6Se/c1-7(2)5-6-8(3)4;2*7-6-4-2-1-3-5-6/h5-6H2,1-4H3;2*1-5,7H.
What are the key properties of benzeneselenolate;2-(dimethylazaniumyl)ethyl-dimethylazanium?
benzeneselenolate;2-(dimethylazaniumyl)ethyl-dimethylazanium has a molecular weight of 430.36 g/mol, XLogP of -1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzeneselenolate;2-(dimethylazaniumyl)ethyl-dimethylazanium is sourced from PubChem (CID 139058006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).