(dimethylaminomethylideneamino)methylidene-dimethylazanium chloride

C6H14ClN3 — CID 11008255

IUPAC(dimethylaminomethylideneamino)methylidene-dimethylazanium chloride
SMILESCN(C)/C=N/C=[N+](C)C.[Cl-]
InChIInChI=1S/C6H14N3.ClH/c1-8(2)5-7-6-9(3)4;/h5-6H,1-4H3;1H/q+1;/p-1
InChIKeyDEIBXAPEZDJDRC-UHFFFAOYSA-M
MW163.65 g/mol
LogP-3.12
Rot. Bonds2

About (dimethylaminomethylideneamino)methylidene-dimethylazanium chloride

(dimethylaminomethylideneamino)methylidene-dimethylazanium chloride (PubChem CID 11008255) has the molecular formula C6H14ClN3 and a molecular weight of 163.65 g/mol. Its IUPAC name is (dimethylaminomethylideneamino)methylidene-dimethylazanium chloride.

Molecular Properties

Compound Name(dimethylaminomethylideneamino)methylidene-dimethylazanium chloride
PubChem CID11008255
Molecular FormulaC6H14ClN3
Molecular Weight163.65 g/mol
Exact Mass163.09
IUPAC Name(dimethylaminomethylideneamino)methylidene-dimethylazanium chloride
SMILESCN(C)/C=N/C=[N+](C)C.[Cl-]
InChIInChI=1S/C6H14N3.ClH/c1-8(2)5-7-6-9(3)4;/h5-6H,1-4H3;1H/q+1;/p-1
InChIKeyDEIBXAPEZDJDRC-UHFFFAOYSA-M
XLogP-3.12
TPSA18.61 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 5-3.12
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 (dimethylaminomethylideneamino)methylidene-dimethylazanium chloride?
The IUPAC name of (dimethylaminomethylideneamino)methylidene-dimethylazanium chloride (CID 11008255) is (dimethylaminomethylideneamino)methylidene-dimethylazanium chloride.
What is the SMILES notation for (dimethylaminomethylideneamino)methylidene-dimethylazanium chloride?
The canonical SMILES for (dimethylaminomethylideneamino)methylidene-dimethylazanium chloride is CN(C)/C=N/C=[N+](C)C.[Cl-].
What is the InChIKey of (dimethylaminomethylideneamino)methylidene-dimethylazanium chloride?
The InChIKey is DEIBXAPEZDJDRC-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14N3.ClH/c1-8(2)5-7-6-9(3)4;/h5-6H,1-4H3;1H/q+1;/p-1.
What are the key properties of (dimethylaminomethylideneamino)methylidene-dimethylazanium chloride?
(dimethylaminomethylideneamino)methylidene-dimethylazanium chloride has a molecular weight of 163.65 g/mol, XLogP of -3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (dimethylaminomethylideneamino)methylidene-dimethylazanium chloride is sourced from PubChem (CID 11008255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).