2-methylpropylazanium iodide

C4H12IN — CID 87989021

IUPAC2-methylpropylazanium iodide
SMILESCC(C)C[NH3+].[I-]
InChIInChI=1S/C4H11N.HI/c1-4(2)3-5;/h4H,3,5H2,1-2H3;1H
InChIKeyFCTHQYIDLRRROX-UHFFFAOYSA-N
MW201.05 g/mol
LogP-3.11
Rot. Bonds1

About 2-methylpropylazanium iodide

2-methylpropylazanium iodide (PubChem CID 87989021) has the molecular formula C4H12IN and a molecular weight of 201.05 g/mol. Its IUPAC name is 2-methylpropylazanium iodide.

Molecular Properties

Compound Name2-methylpropylazanium iodide
PubChem CID87989021
Molecular FormulaC4H12IN
Molecular Weight201.05 g/mol
Exact Mass201.00
IUPAC Name2-methylpropylazanium iodide
SMILESCC(C)C[NH3+].[I-]
InChIInChI=1S/C4H11N.HI/c1-4(2)3-5;/h4H,3,5H2,1-2H3;1H
InChIKeyFCTHQYIDLRRROX-UHFFFAOYSA-N
XLogP-3.11
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.05
LogP ≤ 5-3.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropylazanium iodide?
The IUPAC name of 2-methylpropylazanium iodide (CID 87989021) is 2-methylpropylazanium iodide.
What is the SMILES notation for 2-methylpropylazanium iodide?
The canonical SMILES for 2-methylpropylazanium iodide is CC(C)C[NH3+].[I-].
What is the InChIKey of 2-methylpropylazanium iodide?
The InChIKey is FCTHQYIDLRRROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.HI/c1-4(2)3-5;/h4H,3,5H2,1-2H3;1H.
What are the key properties of 2-methylpropylazanium iodide?
2-methylpropylazanium iodide has a molecular weight of 201.05 g/mol, XLogP of -3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropylazanium iodide is sourced from PubChem (CID 87989021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).