[2-(diethylamino)cycloprop-2-en-1-ylidene]-diethylazanium

C11H21N2+ — CID 102340527

IUPAC[2-(diethylamino)cycloprop-2-en-1-ylidene]-diethylazanium
SMILESCCN(CC)c1cc1=[N+](CC)CC
InChIInChI=1S/C11H21N2/c1-5-12(6-2)10-9-11(10)13(7-3)8-4/h9H,5-8H2,1-4H3/q+1
InChIKeyQBZAZEKQEOTXDC-UHFFFAOYSA-N
MW181.30 g/mol
LogP1.22
Rot. Bonds5

About [2-(diethylamino)cycloprop-2-en-1-ylidene]-diethylazanium

[2-(diethylamino)cycloprop-2-en-1-ylidene]-diethylazanium (PubChem CID 102340527) has the molecular formula C11H21N2+ and a molecular weight of 181.30 g/mol. Its IUPAC name is [2-(diethylamino)cycloprop-2-en-1-ylidene]-diethylazanium.

Molecular Properties

Compound Name[2-(diethylamino)cycloprop-2-en-1-ylidene]-diethylazanium
PubChem CID102340527
Molecular FormulaC11H21N2+
Molecular Weight181.30 g/mol
Exact Mass181.17
IUPAC Name[2-(diethylamino)cycloprop-2-en-1-ylidene]-diethylazanium
SMILESCCN(CC)c1cc1=[N+](CC)CC
InChIInChI=1S/C11H21N2/c1-5-12(6-2)10-9-11(10)13(7-3)8-4/h9H,5-8H2,1-4H3/q+1
InChIKeyQBZAZEKQEOTXDC-UHFFFAOYSA-N
XLogP1.22
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)cycloprop-2-en-1-ylidene]-diethylazanium?
The IUPAC name of [2-(diethylamino)cycloprop-2-en-1-ylidene]-diethylazanium (CID 102340527) is [2-(diethylamino)cycloprop-2-en-1-ylidene]-diethylazanium.
What is the SMILES notation for [2-(diethylamino)cycloprop-2-en-1-ylidene]-diethylazanium?
The canonical SMILES for [2-(diethylamino)cycloprop-2-en-1-ylidene]-diethylazanium is CCN(CC)c1cc1=[N+](CC)CC.
What is the InChIKey of [2-(diethylamino)cycloprop-2-en-1-ylidene]-diethylazanium?
The InChIKey is QBZAZEKQEOTXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N2/c1-5-12(6-2)10-9-11(10)13(7-3)8-4/h9H,5-8H2,1-4H3/q+1.
What are the key properties of [2-(diethylamino)cycloprop-2-en-1-ylidene]-diethylazanium?
[2-(diethylamino)cycloprop-2-en-1-ylidene]-diethylazanium has a molecular weight of 181.30 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)cycloprop-2-en-1-ylidene]-diethylazanium is sourced from PubChem (CID 102340527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).