[1-(dimethylamino)-2-(1,3-dimethylimidazolidin-2-ylidene)ethylidene]-dimethylazanium

C11H23N4+ — CID 134873321

IUPAC[1-(dimethylamino)-2-(1,3-dimethylimidazolidin-2-ylidene)ethylidene]-dimethylazanium
SMILESCN(C)C(C=C1N(C)CCN1C)=[N+](C)C
InChIInChI=1S/C11H23N4/c1-12(2)10(13(3)4)9-11-14(5)7-8-15(11)6/h9H,7-8H2,1-6H3/q+1
InChIKeyKOWDTWWJTYRCTM-UHFFFAOYSA-N
MW211.33 g/mol
LogP-0.06
Rot. Bonds1

About [1-(dimethylamino)-2-(1,3-dimethylimidazolidin-2-ylidene)ethylidene]-dimethylazanium

[1-(dimethylamino)-2-(1,3-dimethylimidazolidin-2-ylidene)ethylidene]-dimethylazanium (PubChem CID 134873321) has the molecular formula C11H23N4+ and a molecular weight of 211.33 g/mol. Its IUPAC name is [1-(dimethylamino)-2-(1,3-dimethylimidazolidin-2-ylidene)ethylidene]-dimethylazanium.

Molecular Properties

Compound Name[1-(dimethylamino)-2-(1,3-dimethylimidazolidin-2-ylidene)ethylidene]-dimethylazanium
PubChem CID134873321
Molecular FormulaC11H23N4+
Molecular Weight211.33 g/mol
Exact Mass211.19
IUPAC Name[1-(dimethylamino)-2-(1,3-dimethylimidazolidin-2-ylidene)ethylidene]-dimethylazanium
SMILESCN(C)C(C=C1N(C)CCN1C)=[N+](C)C
InChIInChI=1S/C11H23N4/c1-12(2)10(13(3)4)9-11-14(5)7-8-15(11)6/h9H,7-8H2,1-6H3/q+1
InChIKeyKOWDTWWJTYRCTM-UHFFFAOYSA-N
XLogP-0.06
TPSA12.73 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(dimethylamino)-2-(1,3-dimethylimidazolidin-2-ylidene)ethylidene]-dimethylazanium?
The IUPAC name of [1-(dimethylamino)-2-(1,3-dimethylimidazolidin-2-ylidene)ethylidene]-dimethylazanium (CID 134873321) is [1-(dimethylamino)-2-(1,3-dimethylimidazolidin-2-ylidene)ethylidene]-dimethylazanium.
What is the SMILES notation for [1-(dimethylamino)-2-(1,3-dimethylimidazolidin-2-ylidene)ethylidene]-dimethylazanium?
The canonical SMILES for [1-(dimethylamino)-2-(1,3-dimethylimidazolidin-2-ylidene)ethylidene]-dimethylazanium is CN(C)C(C=C1N(C)CCN1C)=[N+](C)C.
What is the InChIKey of [1-(dimethylamino)-2-(1,3-dimethylimidazolidin-2-ylidene)ethylidene]-dimethylazanium?
The InChIKey is KOWDTWWJTYRCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N4/c1-12(2)10(13(3)4)9-11-14(5)7-8-15(11)6/h9H,7-8H2,1-6H3/q+1.
What are the key properties of [1-(dimethylamino)-2-(1,3-dimethylimidazolidin-2-ylidene)ethylidene]-dimethylazanium?
[1-(dimethylamino)-2-(1,3-dimethylimidazolidin-2-ylidene)ethylidene]-dimethylazanium has a molecular weight of 211.33 g/mol, XLogP of -0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-2-(1,3-dimethylimidazolidin-2-ylidene)ethylidene]-dimethylazanium is sourced from PubChem (CID 134873321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).