1-(diethylamino)ethylidene-diethylazanium

C10H23N2+ — CID 23311437

IUPAC1-(diethylamino)ethylidene-diethylazanium
SMILESCCN(CC)C(C)=[N+](CC)CC
InChIInChI=1S/C10H23N2/c1-6-11(7-2)10(5)12(8-3)9-4/h6-9H2,1-5H3/q+1
InChIKeyMUSWRBWDLMUBJD-UHFFFAOYSA-N
MW171.31 g/mol
LogP1.80
Rot. Bonds4

About 1-(diethylamino)ethylidene-diethylazanium

1-(diethylamino)ethylidene-diethylazanium (PubChem CID 23311437) has the molecular formula C10H23N2+ and a molecular weight of 171.31 g/mol. Its IUPAC name is 1-(diethylamino)ethylidene-diethylazanium.

Molecular Properties

Compound Name1-(diethylamino)ethylidene-diethylazanium
PubChem CID23311437
Molecular FormulaC10H23N2+
Molecular Weight171.31 g/mol
Exact Mass171.19
IUPAC Name1-(diethylamino)ethylidene-diethylazanium
SMILESCCN(CC)C(C)=[N+](CC)CC
InChIInChI=1S/C10H23N2/c1-6-11(7-2)10(5)12(8-3)9-4/h6-9H2,1-5H3/q+1
InChIKeyMUSWRBWDLMUBJD-UHFFFAOYSA-N
XLogP1.80
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 51.80
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)ethylidene-diethylazanium?
The IUPAC name of 1-(diethylamino)ethylidene-diethylazanium (CID 23311437) is 1-(diethylamino)ethylidene-diethylazanium.
What is the SMILES notation for 1-(diethylamino)ethylidene-diethylazanium?
The canonical SMILES for 1-(diethylamino)ethylidene-diethylazanium is CCN(CC)C(C)=[N+](CC)CC.
What is the InChIKey of 1-(diethylamino)ethylidene-diethylazanium?
The InChIKey is MUSWRBWDLMUBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N2/c1-6-11(7-2)10(5)12(8-3)9-4/h6-9H2,1-5H3/q+1.
What are the key properties of 1-(diethylamino)ethylidene-diethylazanium?
1-(diethylamino)ethylidene-diethylazanium has a molecular weight of 171.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)ethylidene-diethylazanium is sourced from PubChem (CID 23311437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).