di(propan-2-yl)azanium iodide

C6H16IN — CID 517666

IUPACdi(propan-2-yl)azanium iodide
SMILESCC(C)[NH2+]C(C)C.[I-]
InChIInChI=1S/C6H15N.HI/c1-5(2)7-6(3)4;/h5-7H,1-4H3;1H
InChIKeyPBGZCCFVBVEIAS-UHFFFAOYSA-N
MW229.10 g/mol
LogP-2.63
Rot. Bonds2

About di(propan-2-yl)azanium iodide

di(propan-2-yl)azanium iodide (PubChem CID 517666) has the molecular formula C6H16IN and a molecular weight of 229.10 g/mol. Its IUPAC name is di(propan-2-yl)azanium iodide.

Molecular Properties

Compound Namedi(propan-2-yl)azanium iodide
PubChem CID517666
Molecular FormulaC6H16IN
Molecular Weight229.10 g/mol
Exact Mass229.03
IUPAC Namedi(propan-2-yl)azanium iodide
SMILESCC(C)[NH2+]C(C)C.[I-]
InChIInChI=1S/C6H15N.HI/c1-5(2)7-6(3)4;/h5-7H,1-4H3;1H
InChIKeyPBGZCCFVBVEIAS-UHFFFAOYSA-N
XLogP-2.63
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.10
LogP ≤ 5-2.63
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 di(propan-2-yl)azanium iodide?
The IUPAC name of di(propan-2-yl)azanium iodide (CID 517666) is di(propan-2-yl)azanium iodide.
What is the SMILES notation for di(propan-2-yl)azanium iodide?
The canonical SMILES for di(propan-2-yl)azanium iodide is CC(C)[NH2+]C(C)C.[I-].
What is the InChIKey of di(propan-2-yl)azanium iodide?
The InChIKey is PBGZCCFVBVEIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.HI/c1-5(2)7-6(3)4;/h5-7H,1-4H3;1H.
What are the key properties of di(propan-2-yl)azanium iodide?
di(propan-2-yl)azanium iodide has a molecular weight of 229.10 g/mol, XLogP of -2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yl)azanium iodide is sourced from PubChem (CID 517666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).