3-iodopropan-1-amine;hydroiodide

C3H9I2N — CID 75481315

IUPAC3-iodopropan-1-amine;hydroiodide
SMILESI.NCCCI
InChIInChI=1S/C3H8IN.HI/c4-2-1-3-5;/h1-3,5H2;1H
InChIKeyYUROFTHDMNUHBU-UHFFFAOYSA-N
MW312.92 g/mol
LogP1.39
Rot. Bonds2

About 3-iodopropan-1-amine;hydroiodide

3-iodopropan-1-amine;hydroiodide (PubChem CID 75481315) has the molecular formula C3H9I2N and a molecular weight of 312.92 g/mol. Its IUPAC name is 3-iodopropan-1-amine;hydroiodide.

Molecular Properties

Compound Name3-iodopropan-1-amine;hydroiodide
PubChem CID75481315
Molecular FormulaC3H9I2N
Molecular Weight312.92 g/mol
Exact Mass312.88
IUPAC Name3-iodopropan-1-amine;hydroiodide
SMILESI.NCCCI
InChIInChI=1S/C3H8IN.HI/c4-2-1-3-5;/h1-3,5H2;1H
InChIKeyYUROFTHDMNUHBU-UHFFFAOYSA-N
XLogP1.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.92
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-iodopropan-1-amine
CID 21194665
octane-1,8-diamine;hydroiodide
CID 166637894
13-iodo-7,7-dimethyltridecan-1-amine
CID 89328032
octatriacontane-1,38-diamine
CID 54235792
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
iron(3+);propane-1,3-diamine
CID 18953212
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
azane;butane-1,4-diamine
CID 87378889
1,11-diiodoundecane
CID 4060847
butane-1,4-diamine;europium
CID 90401592
CID 21315680
CID 21315680
(2S)-1-N-(2-iodoethyl)pentane-1,2,5-triamine
CID 130381439

Frequently Asked Questions

What is the IUPAC name of 3-iodopropan-1-amine;hydroiodide?
The IUPAC name of 3-iodopropan-1-amine;hydroiodide (CID 75481315) is 3-iodopropan-1-amine;hydroiodide.
What is the SMILES notation for 3-iodopropan-1-amine;hydroiodide?
The canonical SMILES for 3-iodopropan-1-amine;hydroiodide is I.NCCCI.
What is the InChIKey of 3-iodopropan-1-amine;hydroiodide?
The InChIKey is YUROFTHDMNUHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8IN.HI/c4-2-1-3-5;/h1-3,5H2;1H.
What are the key properties of 3-iodopropan-1-amine;hydroiodide?
3-iodopropan-1-amine;hydroiodide has a molecular weight of 312.92 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodopropan-1-amine;hydroiodide is sourced from PubChem (CID 75481315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).