[amino-(tert-butylamino)methylidene]-dimethylazanium

C7H18N3+ — CID 58320102

IUPAC[amino-(tert-butylamino)methylidene]-dimethylazanium
SMILESC[N+](C)=C(N)NC(C)(C)C
InChIInChI=1S/C7H17N3/c1-7(2,3)9-6(8)10(4)5/h1-5H3,(H2,8,9)/p+1
InChIKeyUSFVKLNKCCQANN-UHFFFAOYSA-O
MW144.24 g/mol
LogP-0.04
Rot. Bonds

About [amino-(tert-butylamino)methylidene]-dimethylazanium

[amino-(tert-butylamino)methylidene]-dimethylazanium (PubChem CID 58320102) has the molecular formula C7H18N3+ and a molecular weight of 144.24 g/mol. Its IUPAC name is [amino-(tert-butylamino)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[amino-(tert-butylamino)methylidene]-dimethylazanium
PubChem CID58320102
Molecular FormulaC7H18N3+
Molecular Weight144.24 g/mol
Exact Mass144.15
IUPAC Name[amino-(tert-butylamino)methylidene]-dimethylazanium
SMILESC[N+](C)=C(N)NC(C)(C)C
InChIInChI=1S/C7H17N3/c1-7(2,3)9-6(8)10(4)5/h1-5H3,(H2,8,9)/p+1
InChIKeyUSFVKLNKCCQANN-UHFFFAOYSA-O
XLogP-0.04
TPSA41.06 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
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'}

Analyze [amino-(tert-butylamino)methylidene]-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [amino-(tert-butylamino)methylidene]-dimethylazanium?
The IUPAC name of [amino-(tert-butylamino)methylidene]-dimethylazanium (CID 58320102) is [amino-(tert-butylamino)methylidene]-dimethylazanium.
What is the SMILES notation for [amino-(tert-butylamino)methylidene]-dimethylazanium?
The canonical SMILES for [amino-(tert-butylamino)methylidene]-dimethylazanium is C[N+](C)=C(N)NC(C)(C)C.
What is the InChIKey of [amino-(tert-butylamino)methylidene]-dimethylazanium?
The InChIKey is USFVKLNKCCQANN-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H17N3/c1-7(2,3)9-6(8)10(4)5/h1-5H3,(H2,8,9)/p+1.
What are the key properties of [amino-(tert-butylamino)methylidene]-dimethylazanium?
[amino-(tert-butylamino)methylidene]-dimethylazanium has a molecular weight of 144.24 g/mol, XLogP of -0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(tert-butylamino)methylidene]-dimethylazanium is sourced from PubChem (CID 58320102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).