diethylaminomethylidene(diethyl)azanium

C9H21N2+ — CID 11032102

IUPACdiethylaminomethylidene(diethyl)azanium
SMILESCCN(C=[N+](CC)CC)CC
InChIInChI=1S/C9H21N2/c1-5-10(6-2)9-11(7-3)8-4/h9H,5-8H2,1-4H3/q+1
InChIKeyOLNHRHYJDLSZDV-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.41
Rot. Bonds5

About diethylaminomethylidene(diethyl)azanium

diethylaminomethylidene(diethyl)azanium (PubChem CID 11032102) has the molecular formula C9H21N2+ and a molecular weight of 157.28 g/mol. Its IUPAC name is diethylaminomethylidene(diethyl)azanium.

Molecular Properties

Compound Namediethylaminomethylidene(diethyl)azanium
PubChem CID11032102
Molecular FormulaC9H21N2+
Molecular Weight157.28 g/mol
Exact Mass157.17
IUPAC Namediethylaminomethylidene(diethyl)azanium
SMILESCCN(C=[N+](CC)CC)CC
InChIInChI=1S/C9H21N2/c1-5-10(6-2)9-11(7-3)8-4/h9H,5-8H2,1-4H3/q+1
InChIKeyOLNHRHYJDLSZDV-UHFFFAOYSA-N
XLogP1.41
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.41
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(diethyl)azanium?
The IUPAC name of diethylaminomethylidene(diethyl)azanium (CID 11032102) is diethylaminomethylidene(diethyl)azanium.
What is the SMILES notation for diethylaminomethylidene(diethyl)azanium?
The canonical SMILES for diethylaminomethylidene(diethyl)azanium is CCN(C=[N+](CC)CC)CC.
What is the InChIKey of diethylaminomethylidene(diethyl)azanium?
The InChIKey is OLNHRHYJDLSZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N2/c1-5-10(6-2)9-11(7-3)8-4/h9H,5-8H2,1-4H3/q+1.
What are the key properties of diethylaminomethylidene(diethyl)azanium?
diethylaminomethylidene(diethyl)azanium has a molecular weight of 157.28 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethylaminomethylidene(diethyl)azanium is sourced from PubChem (CID 11032102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).