tert-butyl-(2-tert-butyliminoethylidene)-methylazanium

C11H23N2+ — CID 58765981

IUPACtert-butyl-(2-tert-butyliminoethylidene)-methylazanium
SMILESC/[N+](=C\C=N\C(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H23N2/c1-10(2,3)12-8-9-13(7)11(4,5)6/h8-9H,1-7H3/q+1/b12-8+,13-9+
InChIKeyNZVDXPPUZJDKDF-QHKWOANTSA-N
MW183.32 g/mol
LogP2.37
Rot. Bonds1

About tert-butyl-(2-tert-butyliminoethylidene)-methylazanium

tert-butyl-(2-tert-butyliminoethylidene)-methylazanium (PubChem CID 58765981) has the molecular formula C11H23N2+ and a molecular weight of 183.32 g/mol. Its IUPAC name is tert-butyl-(2-tert-butyliminoethylidene)-methylazanium.

Molecular Properties

Compound Nametert-butyl-(2-tert-butyliminoethylidene)-methylazanium
PubChem CID58765981
Molecular FormulaC11H23N2+
Molecular Weight183.32 g/mol
Exact Mass183.19
IUPAC Nametert-butyl-(2-tert-butyliminoethylidene)-methylazanium
SMILESC/[N+](=C\C=N\C(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H23N2/c1-10(2,3)12-8-9-13(7)11(4,5)6/h8-9H,1-7H3/q+1/b12-8+,13-9+
InChIKeyNZVDXPPUZJDKDF-QHKWOANTSA-N
XLogP2.37
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2-tert-butyliminoethylidene)-methylazanium?
The IUPAC name of tert-butyl-(2-tert-butyliminoethylidene)-methylazanium (CID 58765981) is tert-butyl-(2-tert-butyliminoethylidene)-methylazanium.
What is the SMILES notation for tert-butyl-(2-tert-butyliminoethylidene)-methylazanium?
The canonical SMILES for tert-butyl-(2-tert-butyliminoethylidene)-methylazanium is C/[N+](=C\C=N\C(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl-(2-tert-butyliminoethylidene)-methylazanium?
The InChIKey is NZVDXPPUZJDKDF-QHKWOANTSA-N. The full InChI is InChI=1S/C11H23N2/c1-10(2,3)12-8-9-13(7)11(4,5)6/h8-9H,1-7H3/q+1/b12-8+,13-9+.
What are the key properties of tert-butyl-(2-tert-butyliminoethylidene)-methylazanium?
tert-butyl-(2-tert-butyliminoethylidene)-methylazanium has a molecular weight of 183.32 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-tert-butyliminoethylidene)-methylazanium is sourced from PubChem (CID 58765981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).