[3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium

C10H21N3+2 — CID 10981176

IUPAC[3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium
SMILESCN(C)C=C(C=[N+](C)C)C=[N+](C)C
InChIInChI=1S/C10H21N3/c1-11(2)7-10(8-12(3)4)9-13(5)6/h7-9H,1-6H3/q+2
InChIKeyMATCCHJZJHJDTA-UHFFFAOYSA-N
MW183.30 g/mol
LogP0.12
Rot. Bonds3

About [3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium

[3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium (PubChem CID 10981176) has the molecular formula C10H21N3+2 and a molecular weight of 183.30 g/mol. Its IUPAC name is [3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium
PubChem CID10981176
Molecular FormulaC10H21N3+2
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name[3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium
SMILESCN(C)C=C(C=[N+](C)C)C=[N+](C)C
InChIInChI=1S/C10H21N3/c1-11(2)7-10(8-12(3)4)9-13(5)6/h7-9H,1-6H3/q+2
InChIKeyMATCCHJZJHJDTA-UHFFFAOYSA-N
XLogP0.12
TPSA9.26 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium?
The IUPAC name of [3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium (CID 10981176) is [3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium?
The canonical SMILES for [3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium is CN(C)C=C(C=[N+](C)C)C=[N+](C)C.
What is the InChIKey of [3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium?
The InChIKey is MATCCHJZJHJDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-11(2)7-10(8-12(3)4)9-13(5)6/h7-9H,1-6H3/q+2.
What are the key properties of [3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium?
[3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium has a molecular weight of 183.30 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 10981176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).