[dimethylamino(pyrrolidin-1-yl)methylidene]-dimethylazanium

C9H20N3+ — CID 20688139

IUPAC[dimethylamino(pyrrolidin-1-yl)methylidene]-dimethylazanium
SMILESCN(C)C(N1CCCC1)=[N+](C)C
InChIInChI=1S/C9H20N3/c1-10(2)9(11(3)4)12-7-5-6-8-12/h5-8H2,1-4H3/q+1
InChIKeyUGKKNYVOWSAJOQ-UHFFFAOYSA-N
MW170.28 g/mol
LogP0.27
Rot. Bonds

About [dimethylamino(pyrrolidin-1-yl)methylidene]-dimethylazanium

[dimethylamino(pyrrolidin-1-yl)methylidene]-dimethylazanium (PubChem CID 20688139) has the molecular formula C9H20N3+ and a molecular weight of 170.28 g/mol. Its IUPAC name is [dimethylamino(pyrrolidin-1-yl)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[dimethylamino(pyrrolidin-1-yl)methylidene]-dimethylazanium
PubChem CID20688139
Molecular FormulaC9H20N3+
Molecular Weight170.28 g/mol
Exact Mass170.17
IUPAC Name[dimethylamino(pyrrolidin-1-yl)methylidene]-dimethylazanium
SMILESCN(C)C(N1CCCC1)=[N+](C)C
InChIInChI=1S/C9H20N3/c1-10(2)9(11(3)4)12-7-5-6-8-12/h5-8H2,1-4H3/q+1
InChIKeyUGKKNYVOWSAJOQ-UHFFFAOYSA-N
XLogP0.27
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 50.27
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 [dimethylamino(pyrrolidin-1-yl)methylidene]-dimethylazanium?
The IUPAC name of [dimethylamino(pyrrolidin-1-yl)methylidene]-dimethylazanium (CID 20688139) is [dimethylamino(pyrrolidin-1-yl)methylidene]-dimethylazanium.
What is the SMILES notation for [dimethylamino(pyrrolidin-1-yl)methylidene]-dimethylazanium?
The canonical SMILES for [dimethylamino(pyrrolidin-1-yl)methylidene]-dimethylazanium is CN(C)C(N1CCCC1)=[N+](C)C.
What is the InChIKey of [dimethylamino(pyrrolidin-1-yl)methylidene]-dimethylazanium?
The InChIKey is UGKKNYVOWSAJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N3/c1-10(2)9(11(3)4)12-7-5-6-8-12/h5-8H2,1-4H3/q+1.
What are the key properties of [dimethylamino(pyrrolidin-1-yl)methylidene]-dimethylazanium?
[dimethylamino(pyrrolidin-1-yl)methylidene]-dimethylazanium has a molecular weight of 170.28 g/mol, XLogP of 0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino(pyrrolidin-1-yl)methylidene]-dimethylazanium is sourced from PubChem (CID 20688139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).