dimethylamino-(ethyliminomethylidene)-phenylazanium

C11H16N3+ — CID 54524594

IUPACdimethylamino-(ethyliminomethylidene)-phenylazanium
SMILESCCN=C=[N+](c1ccccc1)N(C)C
InChIInChI=1S/C11H16N3/c1-4-12-10-14(13(2)3)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3/q+1
InChIKeyWFCZQHIDTGWSSH-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.00
Rot. Bonds3

About dimethylamino-(ethyliminomethylidene)-phenylazanium

dimethylamino-(ethyliminomethylidene)-phenylazanium (PubChem CID 54524594) has the molecular formula C11H16N3+ and a molecular weight of 190.27 g/mol. Its IUPAC name is dimethylamino-(ethyliminomethylidene)-phenylazanium.

Molecular Properties

Compound Namedimethylamino-(ethyliminomethylidene)-phenylazanium
PubChem CID54524594
Molecular FormulaC11H16N3+
Molecular Weight190.27 g/mol
Exact Mass190.13
IUPAC Namedimethylamino-(ethyliminomethylidene)-phenylazanium
SMILESCCN=C=[N+](c1ccccc1)N(C)C
InChIInChI=1S/C11H16N3/c1-4-12-10-14(13(2)3)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3/q+1
InChIKeyWFCZQHIDTGWSSH-UHFFFAOYSA-N
XLogP2.00
TPSA18.61 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethylamino-(ethyliminomethylidene)-phenylazanium?
The IUPAC name of dimethylamino-(ethyliminomethylidene)-phenylazanium (CID 54524594) is dimethylamino-(ethyliminomethylidene)-phenylazanium.
What is the SMILES notation for dimethylamino-(ethyliminomethylidene)-phenylazanium?
The canonical SMILES for dimethylamino-(ethyliminomethylidene)-phenylazanium is CCN=C=[N+](c1ccccc1)N(C)C.
What is the InChIKey of dimethylamino-(ethyliminomethylidene)-phenylazanium?
The InChIKey is WFCZQHIDTGWSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N3/c1-4-12-10-14(13(2)3)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3/q+1.
What are the key properties of dimethylamino-(ethyliminomethylidene)-phenylazanium?
dimethylamino-(ethyliminomethylidene)-phenylazanium has a molecular weight of 190.27 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-(ethyliminomethylidene)-phenylazanium is sourced from PubChem (CID 54524594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).