[[2-[bis(dimethylamino)methylideneamino]ethylamino]-(dimethylamino)methylidene]-dimethylazanium

C12H29N6+ — CID 123835509

IUPAC[[2-[bis(dimethylamino)methylideneamino]ethylamino]-(dimethylamino)methylidene]-dimethylazanium
SMILESCN(C)C(=NCCNC(N(C)C)=[N+](C)C)N(C)C
InChIInChI=1S/C12H28N6/c1-15(2)11(16(3)4)13-9-10-14-12(17(5)6)18(7)8/h9-10H2,1-8H3/p+1
InChIKeyZCBQJRXSMAITNS-UHFFFAOYSA-O
MW257.41 g/mol
LogP-0.76
Rot. Bonds3

About [[2-[bis(dimethylamino)methylideneamino]ethylamino]-(dimethylamino)methylidene]-dimethylazanium

[[2-[bis(dimethylamino)methylideneamino]ethylamino]-(dimethylamino)methylidene]-dimethylazanium (PubChem CID 123835509) has the molecular formula C12H29N6+ and a molecular weight of 257.41 g/mol. Its IUPAC name is [[2-[bis(dimethylamino)methylideneamino]ethylamino]-(dimethylamino)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[[2-[bis(dimethylamino)methylideneamino]ethylamino]-(dimethylamino)methylidene]-dimethylazanium
PubChem CID123835509
Molecular FormulaC12H29N6+
Molecular Weight257.41 g/mol
Exact Mass257.24
IUPAC Name[[2-[bis(dimethylamino)methylideneamino]ethylamino]-(dimethylamino)methylidene]-dimethylazanium
SMILESCN(C)C(=NCCNC(N(C)C)=[N+](C)C)N(C)C
InChIInChI=1S/C12H28N6/c1-15(2)11(16(3)4)13-9-10-14-12(17(5)6)18(7)8/h9-10H2,1-8H3/p+1
InChIKeyZCBQJRXSMAITNS-UHFFFAOYSA-O
XLogP-0.76
TPSA37.12 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.41
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 [[2-[bis(dimethylamino)methylideneamino]ethylamino]-(dimethylamino)methylidene]-dimethylazanium?
The IUPAC name of [[2-[bis(dimethylamino)methylideneamino]ethylamino]-(dimethylamino)methylidene]-dimethylazanium (CID 123835509) is [[2-[bis(dimethylamino)methylideneamino]ethylamino]-(dimethylamino)methylidene]-dimethylazanium.
What is the SMILES notation for [[2-[bis(dimethylamino)methylideneamino]ethylamino]-(dimethylamino)methylidene]-dimethylazanium?
The canonical SMILES for [[2-[bis(dimethylamino)methylideneamino]ethylamino]-(dimethylamino)methylidene]-dimethylazanium is CN(C)C(=NCCNC(N(C)C)=[N+](C)C)N(C)C.
What is the InChIKey of [[2-[bis(dimethylamino)methylideneamino]ethylamino]-(dimethylamino)methylidene]-dimethylazanium?
The InChIKey is ZCBQJRXSMAITNS-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H28N6/c1-15(2)11(16(3)4)13-9-10-14-12(17(5)6)18(7)8/h9-10H2,1-8H3/p+1.
What are the key properties of [[2-[bis(dimethylamino)methylideneamino]ethylamino]-(dimethylamino)methylidene]-dimethylazanium?
[[2-[bis(dimethylamino)methylideneamino]ethylamino]-(dimethylamino)methylidene]-dimethylazanium has a molecular weight of 257.41 g/mol, XLogP of -0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[bis(dimethylamino)methylideneamino]ethylamino]-(dimethylamino)methylidene]-dimethylazanium is sourced from PubChem (CID 123835509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).