2,4,4-trimethylpentan-2-amine;hydroiodide

C8H20IN — CID 155859228

IUPAC2,4,4-trimethylpentan-2-amine;hydroiodide
SMILESCC(C)(C)CC(C)(C)N.I
InChIInChI=1S/C8H19N.HI/c1-7(2,3)6-8(4,5)9;/h6,9H2,1-5H3;1H
InChIKeyUXYJHTKQEFCXBJ-UHFFFAOYSA-N
MW257.16 g/mol
LogP2.78
Rot. Bonds1

About 2,4,4-trimethylpentan-2-amine;hydroiodide

2,4,4-trimethylpentan-2-amine;hydroiodide (PubChem CID 155859228) has the molecular formula C8H20IN and a molecular weight of 257.16 g/mol. Its IUPAC name is 2,4,4-trimethylpentan-2-amine;hydroiodide.

Molecular Properties

Compound Name2,4,4-trimethylpentan-2-amine;hydroiodide
PubChem CID155859228
Molecular FormulaC8H20IN
Molecular Weight257.16 g/mol
Exact Mass257.06
IUPAC Name2,4,4-trimethylpentan-2-amine;hydroiodide
SMILESCC(C)(C)CC(C)(C)N.I
InChIInChI=1S/C8H19N.HI/c1-7(2,3)6-8(4,5)9;/h6,9H2,1-5H3;1H
InChIKeyUXYJHTKQEFCXBJ-UHFFFAOYSA-N
XLogP2.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2,4,4-trimethylpentan-2-amine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethylpentan-2-amine;hydroiodide?
The IUPAC name of 2,4,4-trimethylpentan-2-amine;hydroiodide (CID 155859228) is 2,4,4-trimethylpentan-2-amine;hydroiodide.
What is the SMILES notation for 2,4,4-trimethylpentan-2-amine;hydroiodide?
The canonical SMILES for 2,4,4-trimethylpentan-2-amine;hydroiodide is CC(C)(C)CC(C)(C)N.I.
What is the InChIKey of 2,4,4-trimethylpentan-2-amine;hydroiodide?
The InChIKey is UXYJHTKQEFCXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.HI/c1-7(2,3)6-8(4,5)9;/h6,9H2,1-5H3;1H.
What are the key properties of 2,4,4-trimethylpentan-2-amine;hydroiodide?
2,4,4-trimethylpentan-2-amine;hydroiodide has a molecular weight of 257.16 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethylpentan-2-amine;hydroiodide is sourced from PubChem (CID 155859228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).