tert-butylazanium

C4H12N+ — CID 3833866

IUPACtert-butylazanium
SMILESCC(C)(C)[NH3+]
InChIInChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3/p+1
InChIKeyYBRBMKDOPFTVDT-UHFFFAOYSA-O
MW74.15 g/mol
LogP0.03
Rot. Bonds

About tert-butylazanium

tert-butylazanium (PubChem CID 3833866) has the molecular formula C4H12N+ and a molecular weight of 74.15 g/mol. Its IUPAC name is tert-butylazanium.

Molecular Properties

Compound Nametert-butylazanium
PubChem CID3833866
Molecular FormulaC4H12N+
Molecular Weight74.15 g/mol
Exact Mass74.10
IUPAC Nametert-butylazanium
SMILESCC(C)(C)[NH3+]
InChIInChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3/p+1
InChIKeyYBRBMKDOPFTVDT-UHFFFAOYSA-O
XLogP0.03
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.15
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tert-butylazanium?
The IUPAC name of tert-butylazanium (CID 3833866) is tert-butylazanium.
What is the SMILES notation for tert-butylazanium?
The canonical SMILES for tert-butylazanium is CC(C)(C)[NH3+].
What is the InChIKey of tert-butylazanium?
The InChIKey is YBRBMKDOPFTVDT-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3/p+1.
What are the key properties of tert-butylazanium?
tert-butylazanium has a molecular weight of 74.15 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylazanium is sourced from PubChem (CID 3833866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).