2-methylpropane-1,2-diamine;dihydroiodide

C4H14I2N2 — CID 24820208

IUPAC2-methylpropane-1,2-diamine;dihydroiodide
SMILESCC(C)(N)CN.I.I
InChIInChI=1S/C4H12N2.2HI/c1-4(2,6)3-5;;/h3,5-6H2,1-2H3;2*1H
InChIKeyPMHACASNGJGBMF-UHFFFAOYSA-N
MW343.98 g/mol
LogP0.92
Rot. Bonds1

About 2-methylpropane-1,2-diamine;dihydroiodide

2-methylpropane-1,2-diamine;dihydroiodide (PubChem CID 24820208) has the molecular formula C4H14I2N2 and a molecular weight of 343.98 g/mol. Its IUPAC name is 2-methylpropane-1,2-diamine;dihydroiodide.

Molecular Properties

Compound Name2-methylpropane-1,2-diamine;dihydroiodide
PubChem CID24820208
Molecular FormulaC4H14I2N2
Molecular Weight343.98 g/mol
Exact Mass343.92
IUPAC Name2-methylpropane-1,2-diamine;dihydroiodide
SMILESCC(C)(N)CN.I.I
InChIInChI=1S/C4H12N2.2HI/c1-4(2,6)3-5;;/h3,5-6H2,1-2H3;2*1H
InChIKeyPMHACASNGJGBMF-UHFFFAOYSA-N
XLogP0.92
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.98
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methylpropane-1,2-diamine;dihydroiodide?
The IUPAC name of 2-methylpropane-1,2-diamine;dihydroiodide (CID 24820208) is 2-methylpropane-1,2-diamine;dihydroiodide.
What is the SMILES notation for 2-methylpropane-1,2-diamine;dihydroiodide?
The canonical SMILES for 2-methylpropane-1,2-diamine;dihydroiodide is CC(C)(N)CN.I.I.
What is the InChIKey of 2-methylpropane-1,2-diamine;dihydroiodide?
The InChIKey is PMHACASNGJGBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2.2HI/c1-4(2,6)3-5;;/h3,5-6H2,1-2H3;2*1H.
What are the key properties of 2-methylpropane-1,2-diamine;dihydroiodide?
2-methylpropane-1,2-diamine;dihydroiodide has a molecular weight of 343.98 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane-1,2-diamine;dihydroiodide is sourced from PubChem (CID 24820208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).