tert-butyl(methylidyne)azanium

C5H10N+ — CID 3301780

IUPACtert-butyl(methylidyne)azanium
SMILESC#[N+]C(C)(C)C
InChIInChI=1S/C5H10N/c1-5(2,3)6-4/h4H,1-3H3/q+1
InChIKeyUUABPQDGIBOFOW-UHFFFAOYSA-N
MW84.14 g/mol
LogP1.75
Rot. Bonds

About tert-butyl(methylidyne)azanium

tert-butyl(methylidyne)azanium (PubChem CID 3301780) has the molecular formula C5H10N+ and a molecular weight of 84.14 g/mol. Its IUPAC name is tert-butyl(methylidyne)azanium.

Molecular Properties

Compound Nametert-butyl(methylidyne)azanium
PubChem CID3301780
Molecular FormulaC5H10N+
Molecular Weight84.14 g/mol
Exact Mass84.08
IUPAC Nametert-butyl(methylidyne)azanium
SMILESC#[N+]C(C)(C)C
InChIInChI=1S/C5H10N/c1-5(2,3)6-4/h4H,1-3H3/q+1
InChIKeyUUABPQDGIBOFOW-UHFFFAOYSA-N
XLogP1.75
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.14
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tert-butyl(methylidyne)azanium?
The IUPAC name of tert-butyl(methylidyne)azanium (CID 3301780) is tert-butyl(methylidyne)azanium.
What is the SMILES notation for tert-butyl(methylidyne)azanium?
The canonical SMILES for tert-butyl(methylidyne)azanium is C#[N+]C(C)(C)C.
What is the InChIKey of tert-butyl(methylidyne)azanium?
The InChIKey is UUABPQDGIBOFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N/c1-5(2,3)6-4/h4H,1-3H3/q+1.
What are the key properties of tert-butyl(methylidyne)azanium?
tert-butyl(methylidyne)azanium has a molecular weight of 84.14 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(methylidyne)azanium is sourced from PubChem (CID 3301780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).