propan-1-amine;hydroiodide

C3H10IN — CID 91972164

IUPACpropan-1-amine;hydroiodide
SMILESCCCN.I
InChIInChI=1S/C3H9N.HI/c1-2-3-4;/h2-4H2,1H3;1H
InChIKeyGIAPQOZCVIEHNY-UHFFFAOYSA-N
MW187.02 g/mol
LogP0.97
Rot. Bonds1

About propan-1-amine;hydroiodide

propan-1-amine;hydroiodide (PubChem CID 91972164) has the molecular formula C3H10IN and a molecular weight of 187.02 g/mol. Its IUPAC name is propan-1-amine;hydroiodide.

Molecular Properties

Compound Namepropan-1-amine;hydroiodide
PubChem CID91972164
Molecular FormulaC3H10IN
Molecular Weight187.02 g/mol
Exact Mass186.99
IUPAC Namepropan-1-amine;hydroiodide
SMILESCCCN.I
InChIInChI=1S/C3H9N.HI/c1-2-3-4;/h2-4H2,1H3;1H
InChIKeyGIAPQOZCVIEHNY-UHFFFAOYSA-N
XLogP0.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.02
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-1-amine;hydroiodide?
The IUPAC name of propan-1-amine;hydroiodide (CID 91972164) is propan-1-amine;hydroiodide.
What is the SMILES notation for propan-1-amine;hydroiodide?
The canonical SMILES for propan-1-amine;hydroiodide is CCCN.I.
What is the InChIKey of propan-1-amine;hydroiodide?
The InChIKey is GIAPQOZCVIEHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.HI/c1-2-3-4;/h2-4H2,1H3;1H.
What are the key properties of propan-1-amine;hydroiodide?
propan-1-amine;hydroiodide has a molecular weight of 187.02 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-1-amine;hydroiodide is sourced from PubChem (CID 91972164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).