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

C6H16N3+ — CID 58320176

IUPAC[amino-(tert-butylamino)methylidene]-methylazanium
SMILESC/[NH+]=C(\N)NC(C)(C)C
InChIInChI=1S/C6H15N3/c1-6(2,3)9-5(7)8-4/h1-4H3,(H3,7,8,9)/p+1
InChIKeyQPEDHPOKCAQSTF-UHFFFAOYSA-O
MW130.21 g/mol
LogP-1.60
Rot. Bonds

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

[amino-(tert-butylamino)methylidene]-methylazanium (PubChem CID 58320176) has the molecular formula C6H16N3+ and a molecular weight of 130.21 g/mol. Its IUPAC name is [amino-(tert-butylamino)methylidene]-methylazanium.

Molecular Properties

Compound Name[amino-(tert-butylamino)methylidene]-methylazanium
PubChem CID58320176
Molecular FormulaC6H16N3+
Molecular Weight130.21 g/mol
Exact Mass130.13
IUPAC Name[amino-(tert-butylamino)methylidene]-methylazanium
SMILESC/[NH+]=C(\N)NC(C)(C)C
InChIInChI=1S/C6H15N3/c1-6(2,3)9-5(7)8-4/h1-4H3,(H3,7,8,9)/p+1
InChIKeyQPEDHPOKCAQSTF-UHFFFAOYSA-O
XLogP-1.60
TPSA52.02 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 5-1.60
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]-methylazanium?
The IUPAC name of [amino-(tert-butylamino)methylidene]-methylazanium (CID 58320176) is [amino-(tert-butylamino)methylidene]-methylazanium.
What is the SMILES notation for [amino-(tert-butylamino)methylidene]-methylazanium?
The canonical SMILES for [amino-(tert-butylamino)methylidene]-methylazanium is C/[NH+]=C(\N)NC(C)(C)C.
What is the InChIKey of [amino-(tert-butylamino)methylidene]-methylazanium?
The InChIKey is QPEDHPOKCAQSTF-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H15N3/c1-6(2,3)9-5(7)8-4/h1-4H3,(H3,7,8,9)/p+1.
What are the key properties of [amino-(tert-butylamino)methylidene]-methylazanium?
[amino-(tert-butylamino)methylidene]-methylazanium has a molecular weight of 130.21 g/mol, XLogP of -1.60, 0 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(tert-butylamino)methylidene]-methylazanium is sourced from PubChem (CID 58320176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).