1-(diethylamino)propylidene-diethylazanium

C11H25N2+ — CID 23311474

IUPAC1-(diethylamino)propylidene-diethylazanium
SMILESCCC(N(CC)CC)=[N+](CC)CC
InChIInChI=1S/C11H25N2/c1-6-11(12(7-2)8-3)13(9-4)10-5/h6-10H2,1-5H3/q+1
InChIKeyPEVBJIYUEZZTOR-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.19
Rot. Bonds5

About 1-(diethylamino)propylidene-diethylazanium

1-(diethylamino)propylidene-diethylazanium (PubChem CID 23311474) has the molecular formula C11H25N2+ and a molecular weight of 185.34 g/mol. Its IUPAC name is 1-(diethylamino)propylidene-diethylazanium.

Molecular Properties

Compound Name1-(diethylamino)propylidene-diethylazanium
PubChem CID23311474
Molecular FormulaC11H25N2+
Molecular Weight185.34 g/mol
Exact Mass185.20
IUPAC Name1-(diethylamino)propylidene-diethylazanium
SMILESCCC(N(CC)CC)=[N+](CC)CC
InChIInChI=1S/C11H25N2/c1-6-11(12(7-2)8-3)13(9-4)10-5/h6-10H2,1-5H3/q+1
InChIKeyPEVBJIYUEZZTOR-UHFFFAOYSA-N
XLogP2.19
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.19
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 1-(diethylamino)propylidene-diethylazanium?
The IUPAC name of 1-(diethylamino)propylidene-diethylazanium (CID 23311474) is 1-(diethylamino)propylidene-diethylazanium.
What is the SMILES notation for 1-(diethylamino)propylidene-diethylazanium?
The canonical SMILES for 1-(diethylamino)propylidene-diethylazanium is CCC(N(CC)CC)=[N+](CC)CC.
What is the InChIKey of 1-(diethylamino)propylidene-diethylazanium?
The InChIKey is PEVBJIYUEZZTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N2/c1-6-11(12(7-2)8-3)13(9-4)10-5/h6-10H2,1-5H3/q+1.
What are the key properties of 1-(diethylamino)propylidene-diethylazanium?
1-(diethylamino)propylidene-diethylazanium has a molecular weight of 185.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)propylidene-diethylazanium is sourced from PubChem (CID 23311474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).