diethyl(ethylidene)azanium

C6H14N+ — CID 13237612

IUPACdiethyl(ethylidene)azanium
SMILESCC=[N+](CC)CC
InChIInChI=1S/C6H14N/c1-4-7(5-2)6-3/h4H,5-6H2,1-3H3/q+1
InChIKeyMKDRNJUYSZDFPS-UHFFFAOYSA-N
MW100.19 g/mol
LogP1.13
Rot. Bonds2

About diethyl(ethylidene)azanium

diethyl(ethylidene)azanium (PubChem CID 13237612) has the molecular formula C6H14N+ and a molecular weight of 100.19 g/mol. Its IUPAC name is diethyl(ethylidene)azanium.

Molecular Properties

Compound Namediethyl(ethylidene)azanium
PubChem CID13237612
Molecular FormulaC6H14N+
Molecular Weight100.19 g/mol
Exact Mass100.11
IUPAC Namediethyl(ethylidene)azanium
SMILESCC=[N+](CC)CC
InChIInChI=1S/C6H14N/c1-4-7(5-2)6-3/h4H,5-6H2,1-3H3/q+1
InChIKeyMKDRNJUYSZDFPS-UHFFFAOYSA-N
XLogP1.13
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.19
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl(ethylidene)azanium?
The IUPAC name of diethyl(ethylidene)azanium (CID 13237612) is diethyl(ethylidene)azanium.
What is the SMILES notation for diethyl(ethylidene)azanium?
The canonical SMILES for diethyl(ethylidene)azanium is CC=[N+](CC)CC.
What is the InChIKey of diethyl(ethylidene)azanium?
The InChIKey is MKDRNJUYSZDFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N/c1-4-7(5-2)6-3/h4H,5-6H2,1-3H3/q+1.
What are the key properties of diethyl(ethylidene)azanium?
diethyl(ethylidene)azanium has a molecular weight of 100.19 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(ethylidene)azanium is sourced from PubChem (CID 13237612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).