[[bis(dimethylamino)methylamino]-(dimethylamino)methylidene]-dimethylazanium perchlorate

C10H26ClN5O4 — CID 135052279

IUPAC[[bis(dimethylamino)methylamino]-(dimethylamino)methylidene]-dimethylazanium perchlorate
SMILESCN(C)C(NC(N(C)C)N(C)C)=[N+](C)C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C10H25N5.ClHO4/c1-12(2)9(13(3)4)11-10(14(5)6)15(7)8;2-1(3,4)5/h9H,1-8H3;(H,2,3,4,5)
InChIKeyPPNNHXHGWKOWED-UHFFFAOYSA-N
MW315.80 g/mol
LogP-5.58
Rot. Bonds3

About [[bis(dimethylamino)methylamino]-(dimethylamino)methylidene]-dimethylazanium perchlorate

[[bis(dimethylamino)methylamino]-(dimethylamino)methylidene]-dimethylazanium perchlorate (PubChem CID 135052279) has the molecular formula C10H26ClN5O4 and a molecular weight of 315.80 g/mol. Its IUPAC name is [[bis(dimethylamino)methylamino]-(dimethylamino)methylidene]-dimethylazanium perchlorate.

Molecular Properties

Compound Name[[bis(dimethylamino)methylamino]-(dimethylamino)methylidene]-dimethylazanium perchlorate
PubChem CID135052279
Molecular FormulaC10H26ClN5O4
Molecular Weight315.80 g/mol
Exact Mass315.17
IUPAC Name[[bis(dimethylamino)methylamino]-(dimethylamino)methylidene]-dimethylazanium perchlorate
SMILESCN(C)C(NC(N(C)C)N(C)C)=[N+](C)C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C10H25N5.ClHO4/c1-12(2)9(13(3)4)11-10(14(5)6)15(7)8;2-1(3,4)5/h9H,1-8H3;(H,2,3,4,5)
InChIKeyPPNNHXHGWKOWED-UHFFFAOYSA-N
XLogP-5.58
TPSA117.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 5-5.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 [[bis(dimethylamino)methylamino]-(dimethylamino)methylidene]-dimethylazanium perchlorate?
The IUPAC name of [[bis(dimethylamino)methylamino]-(dimethylamino)methylidene]-dimethylazanium perchlorate (CID 135052279) is [[bis(dimethylamino)methylamino]-(dimethylamino)methylidene]-dimethylazanium perchlorate.
What is the SMILES notation for [[bis(dimethylamino)methylamino]-(dimethylamino)methylidene]-dimethylazanium perchlorate?
The canonical SMILES for [[bis(dimethylamino)methylamino]-(dimethylamino)methylidene]-dimethylazanium perchlorate is CN(C)C(NC(N(C)C)N(C)C)=[N+](C)C.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [[bis(dimethylamino)methylamino]-(dimethylamino)methylidene]-dimethylazanium perchlorate?
The InChIKey is PPNNHXHGWKOWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N5.ClHO4/c1-12(2)9(13(3)4)11-10(14(5)6)15(7)8;2-1(3,4)5/h9H,1-8H3;(H,2,3,4,5).
What are the key properties of [[bis(dimethylamino)methylamino]-(dimethylamino)methylidene]-dimethylazanium perchlorate?
[[bis(dimethylamino)methylamino]-(dimethylamino)methylidene]-dimethylazanium perchlorate has a molecular weight of 315.80 g/mol, XLogP of -5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[bis(dimethylamino)methylamino]-(dimethylamino)methylidene]-dimethylazanium perchlorate is sourced from PubChem (CID 135052279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).