[[bis(prop-2-enyl)amino]-(dimethylamino)methylidene]-dimethylazanium

C11H22N3+ — CID 102167943

IUPAC[[bis(prop-2-enyl)amino]-(dimethylamino)methylidene]-dimethylazanium
SMILESC=CCN(CC=C)C(N(C)C)=[N+](C)C
InChIInChI=1S/C11H22N3/c1-7-9-14(10-8-2)11(12(3)4)13(5)6/h7-8H,1-2,9-10H2,3-6H3/q+1
InChIKeyRKNXHDAIHUANPZ-UHFFFAOYSA-N
MW196.32 g/mol
LogP0.85
Rot. Bonds4

About [[bis(prop-2-enyl)amino]-(dimethylamino)methylidene]-dimethylazanium

[[bis(prop-2-enyl)amino]-(dimethylamino)methylidene]-dimethylazanium (PubChem CID 102167943) has the molecular formula C11H22N3+ and a molecular weight of 196.32 g/mol. Its IUPAC name is [[bis(prop-2-enyl)amino]-(dimethylamino)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[[bis(prop-2-enyl)amino]-(dimethylamino)methylidene]-dimethylazanium
PubChem CID102167943
Molecular FormulaC11H22N3+
Molecular Weight196.32 g/mol
Exact Mass196.18
IUPAC Name[[bis(prop-2-enyl)amino]-(dimethylamino)methylidene]-dimethylazanium
SMILESC=CCN(CC=C)C(N(C)C)=[N+](C)C
InChIInChI=1S/C11H22N3/c1-7-9-14(10-8-2)11(12(3)4)13(5)6/h7-8H,1-2,9-10H2,3-6H3/q+1
InChIKeyRKNXHDAIHUANPZ-UHFFFAOYSA-N
XLogP0.85
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 50.85
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [[bis(prop-2-enyl)amino]-(dimethylamino)methylidene]-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[dimethylamino-[ethyl(prop-2-enyl)amino]methylidene]-dimethylazanium;hydrogen sulfate
CID 175264091
[dimethylamino-(dioctylamino)methylidene]-dimethylazanium
CID 13127883
N-methyl-N-prop-2-enylprop-2-en-1-amine;hydroiodide
CID 141311417
azane;N,N-dimethylprop-2-en-1-amine
CID 87892299
N,N-dimethylprop-2-en-1-amine;ethane-1,2-diol
CID 87069649
2,2-dichloro-N-ethyl-N-prop-2-enylacetamide
CID 21403921
N,N-bis(prop-2-enyl)carbamoyl fluoride
CID 21354913
N,N'-dimethyl-N,N'-bis(prop-2-enyl)oxamide
CID 71483404
N,N-dimethylprop-2-en-1-amine;gold;dihydrochloride
CID 174904826
(Z)-3-[bis(prop-2-enyl)amino]but-2-enoic acid
CID 21432845
N-(2-oxoethyl)-N-prop-2-enylacetamide
CID 19738524
N-[2-(dimethylamino)ethyl]-2-methyl-N-prop-2-enylprop-2-enamide
CID 135128686

Frequently Asked Questions

What is the IUPAC name of [[bis(prop-2-enyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
The IUPAC name of [[bis(prop-2-enyl)amino]-(dimethylamino)methylidene]-dimethylazanium (CID 102167943) is [[bis(prop-2-enyl)amino]-(dimethylamino)methylidene]-dimethylazanium.
What is the SMILES notation for [[bis(prop-2-enyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
The canonical SMILES for [[bis(prop-2-enyl)amino]-(dimethylamino)methylidene]-dimethylazanium is C=CCN(CC=C)C(N(C)C)=[N+](C)C.
What is the InChIKey of [[bis(prop-2-enyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
The InChIKey is RKNXHDAIHUANPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N3/c1-7-9-14(10-8-2)11(12(3)4)13(5)6/h7-8H,1-2,9-10H2,3-6H3/q+1.
What are the key properties of [[bis(prop-2-enyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
[[bis(prop-2-enyl)amino]-(dimethylamino)methylidene]-dimethylazanium has a molecular weight of 196.32 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [[bis(prop-2-enyl)amino]-(dimethylamino)methylidene]-dimethylazanium is sourced from PubChem (CID 102167943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).