2-methylbutan-2-ylazanium

C5H14N+ — CID 6992803

IUPAC2-methylbutan-2-ylazanium
SMILESCCC(C)(C)[NH3+]
InChIInChI=1S/C5H13N/c1-4-5(2,3)6/h4,6H2,1-3H3/p+1
InChIKeyGELMWIVBBPAMIO-UHFFFAOYSA-O
MW88.17 g/mol
LogP0.42
Rot. Bonds1

About 2-methylbutan-2-ylazanium

2-methylbutan-2-ylazanium (PubChem CID 6992803) has the molecular formula C5H14N+ and a molecular weight of 88.17 g/mol. Its IUPAC name is 2-methylbutan-2-ylazanium.

Molecular Properties

Compound Name2-methylbutan-2-ylazanium
PubChem CID6992803
Molecular FormulaC5H14N+
Molecular Weight88.17 g/mol
Exact Mass88.11
IUPAC Name2-methylbutan-2-ylazanium
SMILESCCC(C)(C)[NH3+]
InChIInChI=1S/C5H13N/c1-4-5(2,3)6/h4,6H2,1-3H3/p+1
InChIKeyGELMWIVBBPAMIO-UHFFFAOYSA-O
XLogP0.42
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.17
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-ylazanium?
The IUPAC name of 2-methylbutan-2-ylazanium (CID 6992803) is 2-methylbutan-2-ylazanium.
What is the SMILES notation for 2-methylbutan-2-ylazanium?
The canonical SMILES for 2-methylbutan-2-ylazanium is CCC(C)(C)[NH3+].
What is the InChIKey of 2-methylbutan-2-ylazanium?
The InChIKey is GELMWIVBBPAMIO-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H13N/c1-4-5(2,3)6/h4,6H2,1-3H3/p+1.
What are the key properties of 2-methylbutan-2-ylazanium?
2-methylbutan-2-ylazanium has a molecular weight of 88.17 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-ylazanium is sourced from PubChem (CID 6992803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).