ethyl-dimethyl-[(trimethylazaniumyl)methyl]azanium

C8H22N2+2 — CID 18716516

IUPACethyl-dimethyl-[(trimethylazaniumyl)methyl]azanium
SMILESCC[N+](C)(C)C[N+](C)(C)C
InChIInChI=1S/C8H22N2/c1-7-10(5,6)8-9(2,3)4/h7-8H2,1-6H3/q+2
InChIKeyDWWJEDTXHLAVNQ-UHFFFAOYSA-N
MW146.28 g/mol
LogP0.75
Rot. Bonds3

About ethyl-dimethyl-[(trimethylazaniumyl)methyl]azanium

ethyl-dimethyl-[(trimethylazaniumyl)methyl]azanium (PubChem CID 18716516) has the molecular formula C8H22N2+2 and a molecular weight of 146.28 g/mol. Its IUPAC name is ethyl-dimethyl-[(trimethylazaniumyl)methyl]azanium.

Molecular Properties

Compound Nameethyl-dimethyl-[(trimethylazaniumyl)methyl]azanium
PubChem CID18716516
Molecular FormulaC8H22N2+2
Molecular Weight146.28 g/mol
Exact Mass146.18
IUPAC Nameethyl-dimethyl-[(trimethylazaniumyl)methyl]azanium
SMILESCC[N+](C)(C)C[N+](C)(C)C
InChIInChI=1S/C8H22N2/c1-7-10(5,6)8-9(2,3)4/h7-8H2,1-6H3/q+2
InChIKeyDWWJEDTXHLAVNQ-UHFFFAOYSA-N
XLogP0.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.28
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-[(trimethylazaniumyl)methyl]azanium?
The IUPAC name of ethyl-dimethyl-[(trimethylazaniumyl)methyl]azanium (CID 18716516) is ethyl-dimethyl-[(trimethylazaniumyl)methyl]azanium.
What is the SMILES notation for ethyl-dimethyl-[(trimethylazaniumyl)methyl]azanium?
The canonical SMILES for ethyl-dimethyl-[(trimethylazaniumyl)methyl]azanium is CC[N+](C)(C)C[N+](C)(C)C.
What is the InChIKey of ethyl-dimethyl-[(trimethylazaniumyl)methyl]azanium?
The InChIKey is DWWJEDTXHLAVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N2/c1-7-10(5,6)8-9(2,3)4/h7-8H2,1-6H3/q+2.
What are the key properties of ethyl-dimethyl-[(trimethylazaniumyl)methyl]azanium?
ethyl-dimethyl-[(trimethylazaniumyl)methyl]azanium has a molecular weight of 146.28 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-[(trimethylazaniumyl)methyl]azanium is sourced from PubChem (CID 18716516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).