2,4,4-trimethylpentan-2-ylazanium

C8H20N+ — CID 5178672

IUPAC2,4,4-trimethylpentan-2-ylazanium
SMILESCC(C)(C)CC(C)(C)[NH3+]
InChIInChI=1S/C8H19N/c1-7(2,3)6-8(4,5)9/h6,9H2,1-5H3/p+1
InChIKeyQIJIUJYANDSEKG-UHFFFAOYSA-O
MW130.25 g/mol
LogP1.44
Rot. Bonds1

About 2,4,4-trimethylpentan-2-ylazanium

2,4,4-trimethylpentan-2-ylazanium (PubChem CID 5178672) has the molecular formula C8H20N+ and a molecular weight of 130.25 g/mol. Its IUPAC name is 2,4,4-trimethylpentan-2-ylazanium.

Molecular Properties

Compound Name2,4,4-trimethylpentan-2-ylazanium
PubChem CID5178672
Molecular FormulaC8H20N+
Molecular Weight130.25 g/mol
Exact Mass130.16
IUPAC Name2,4,4-trimethylpentan-2-ylazanium
SMILESCC(C)(C)CC(C)(C)[NH3+]
InChIInChI=1S/C8H19N/c1-7(2,3)6-8(4,5)9/h6,9H2,1-5H3/p+1
InChIKeyQIJIUJYANDSEKG-UHFFFAOYSA-O
XLogP1.44
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethylpentan-2-ylazanium?
The IUPAC name of 2,4,4-trimethylpentan-2-ylazanium (CID 5178672) is 2,4,4-trimethylpentan-2-ylazanium.
What is the SMILES notation for 2,4,4-trimethylpentan-2-ylazanium?
The canonical SMILES for 2,4,4-trimethylpentan-2-ylazanium is CC(C)(C)CC(C)(C)[NH3+].
What is the InChIKey of 2,4,4-trimethylpentan-2-ylazanium?
The InChIKey is QIJIUJYANDSEKG-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H19N/c1-7(2,3)6-8(4,5)9/h6,9H2,1-5H3/p+1.
What are the key properties of 2,4,4-trimethylpentan-2-ylazanium?
2,4,4-trimethylpentan-2-ylazanium has a molecular weight of 130.25 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethylpentan-2-ylazanium is sourced from PubChem (CID 5178672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).