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

C7H18N3+ — CID 58319935

IUPAC[amino-(tert-butylamino)methylidene]-ethylazanium
SMILESCC/[NH+]=C(\N)NC(C)(C)C
InChIInChI=1S/C7H17N3/c1-5-9-6(8)10-7(2,3)4/h5H2,1-4H3,(H3,8,9,10)/p+1
InChIKeyRJEHVTUDZHXEOV-UHFFFAOYSA-O
MW144.24 g/mol
LogP-1.21
Rot. Bonds1

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

[amino-(tert-butylamino)methylidene]-ethylazanium (PubChem CID 58319935) has the molecular formula C7H18N3+ and a molecular weight of 144.24 g/mol. Its IUPAC name is [amino-(tert-butylamino)methylidene]-ethylazanium.

Molecular Properties

Compound Name[amino-(tert-butylamino)methylidene]-ethylazanium
PubChem CID58319935
Molecular FormulaC7H18N3+
Molecular Weight144.24 g/mol
Exact Mass144.15
IUPAC Name[amino-(tert-butylamino)methylidene]-ethylazanium
SMILESCC/[NH+]=C(\N)NC(C)(C)C
InChIInChI=1S/C7H17N3/c1-5-9-6(8)10-7(2,3)4/h5H2,1-4H3,(H3,8,9,10)/p+1
InChIKeyRJEHVTUDZHXEOV-UHFFFAOYSA-O
XLogP-1.21
TPSA52.02 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino-(tert-butylamino)methylidene]-ethylazanium?
The IUPAC name of [amino-(tert-butylamino)methylidene]-ethylazanium (CID 58319935) is [amino-(tert-butylamino)methylidene]-ethylazanium.
What is the SMILES notation for [amino-(tert-butylamino)methylidene]-ethylazanium?
The canonical SMILES for [amino-(tert-butylamino)methylidene]-ethylazanium is CC/[NH+]=C(\N)NC(C)(C)C.
What is the InChIKey of [amino-(tert-butylamino)methylidene]-ethylazanium?
The InChIKey is RJEHVTUDZHXEOV-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H17N3/c1-5-9-6(8)10-7(2,3)4/h5H2,1-4H3,(H3,8,9,10)/p+1.
What are the key properties of [amino-(tert-butylamino)methylidene]-ethylazanium?
[amino-(tert-butylamino)methylidene]-ethylazanium has a molecular weight of 144.24 g/mol, XLogP of -1.21, 1 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(tert-butylamino)methylidene]-ethylazanium is sourced from PubChem (CID 58319935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).