diethylaminomethylidene(dimethyl)azanium

C7H17N2+ — CID 10130128

IUPACdiethylaminomethylidene(dimethyl)azanium
SMILESCCN(C=[N+](C)C)CC
InChIInChI=1S/C7H17N2/c1-5-9(6-2)7-8(3)4/h7H,5-6H2,1-4H3/q+1
InChIKeyIKZOLDBXSURNFU-UHFFFAOYSA-N
MW129.23 g/mol
LogP0.63
Rot. Bonds3

About diethylaminomethylidene(dimethyl)azanium

diethylaminomethylidene(dimethyl)azanium (PubChem CID 10130128) has the molecular formula C7H17N2+ and a molecular weight of 129.23 g/mol. Its IUPAC name is diethylaminomethylidene(dimethyl)azanium.

Molecular Properties

Compound Namediethylaminomethylidene(dimethyl)azanium
PubChem CID10130128
Molecular FormulaC7H17N2+
Molecular Weight129.23 g/mol
Exact Mass129.14
IUPAC Namediethylaminomethylidene(dimethyl)azanium
SMILESCCN(C=[N+](C)C)CC
InChIInChI=1S/C7H17N2/c1-5-9(6-2)7-8(3)4/h7H,5-6H2,1-4H3/q+1
InChIKeyIKZOLDBXSURNFU-UHFFFAOYSA-N
XLogP0.63
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethylaminomethylidene(dimethyl)azanium?
The IUPAC name of diethylaminomethylidene(dimethyl)azanium (CID 10130128) is diethylaminomethylidene(dimethyl)azanium.
What is the SMILES notation for diethylaminomethylidene(dimethyl)azanium?
The canonical SMILES for diethylaminomethylidene(dimethyl)azanium is CCN(C=[N+](C)C)CC.
What is the InChIKey of diethylaminomethylidene(dimethyl)azanium?
The InChIKey is IKZOLDBXSURNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N2/c1-5-9(6-2)7-8(3)4/h7H,5-6H2,1-4H3/q+1.
What are the key properties of diethylaminomethylidene(dimethyl)azanium?
diethylaminomethylidene(dimethyl)azanium has a molecular weight of 129.23 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethylaminomethylidene(dimethyl)azanium is sourced from PubChem (CID 10130128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).