tert-butyl(methyl)azanium

C5H14N+ — CID 6995482

IUPACtert-butyl(methyl)azanium
SMILESC[NH2+]C(C)(C)C
InChIInChI=1S/C5H13N/c1-5(2,3)6-4/h6H,1-4H3/p+1
InChIKeyZQGJEUVBUVKZKS-UHFFFAOYSA-O
MW88.17 g/mol
LogP-0.02
Rot. Bonds

About tert-butyl(methyl)azanium

tert-butyl(methyl)azanium (PubChem CID 6995482) has the molecular formula C5H14N+ and a molecular weight of 88.17 g/mol. Its IUPAC name is tert-butyl(methyl)azanium.

Molecular Properties

Compound Nametert-butyl(methyl)azanium
PubChem CID6995482
Molecular FormulaC5H14N+
Molecular Weight88.17 g/mol
Exact Mass88.11
IUPAC Nametert-butyl(methyl)azanium
SMILESC[NH2+]C(C)(C)C
InChIInChI=1S/C5H13N/c1-5(2,3)6-4/h6H,1-4H3/p+1
InChIKeyZQGJEUVBUVKZKS-UHFFFAOYSA-O
XLogP-0.02
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.17
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2,2-Dimethylaziridine
CID 227244
N-Methyl-tert-butylamine
CID 84552
2-Propanamine, 2-methyl-N-(1-methylethyl)-
CID 82023
Tert-butyl(ethyl)amine
CID 521156
Propylamine, N,1,1-trimethyl-, hydrochloride
CID 76320
2-Methyl-2-(methylamino)propanenitrile
CID 2530251
Methyl(2-methylbut-3-yn-2-yl)amine
CID 12632928
(1-Amino-2-methylpropan-2-yl)(methyl)amine
CID 12665984
N,1-dimethylcyclopropan-1-amine hydrochloride
CID 68625800
Cyclopropanamine, N,1-dimethyl-
CID 21353681
N-(1,1-Dimethylethyl)-1-propanamine
CID 12426736
Tert-butyl(dimethyl)azanium
CID 6993921

Frequently Asked Questions

What is the IUPAC name of tert-butyl(methyl)azanium?
The IUPAC name of tert-butyl(methyl)azanium (CID 6995482) is tert-butyl(methyl)azanium.
What is the SMILES notation for tert-butyl(methyl)azanium?
The canonical SMILES for tert-butyl(methyl)azanium is C[NH2+]C(C)(C)C.
What is the InChIKey of tert-butyl(methyl)azanium?
The InChIKey is ZQGJEUVBUVKZKS-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H13N/c1-5(2,3)6-4/h6H,1-4H3/p+1.
What are the key properties of tert-butyl(methyl)azanium?
tert-butyl(methyl)azanium has a molecular weight of 88.17 g/mol, XLogP of -0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(methyl)azanium is sourced from PubChem (CID 6995482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).