3-iodopropan-1-amine

C3H8IN — CID 21194665

IUPAC3-iodopropan-1-amine
SMILESNCCCI
InChIInChI=1S/C3H8IN/c4-2-1-3-5/h1-3,5H2
InChIKeyFZSUKGFWZOUEJF-UHFFFAOYSA-N
MW185.01 g/mol
LogP0.77
Rot. Bonds2

About 3-iodopropan-1-amine

3-iodopropan-1-amine (PubChem CID 21194665) has the molecular formula C3H8IN and a molecular weight of 185.01 g/mol. Its IUPAC name is 3-iodopropan-1-amine.

Molecular Properties

Compound Name3-iodopropan-1-amine
PubChem CID21194665
Molecular FormulaC3H8IN
Molecular Weight185.01 g/mol
Exact Mass184.97
IUPAC Name3-iodopropan-1-amine
SMILESNCCCI
InChIInChI=1S/C3H8IN/c4-2-1-3-5/h1-3,5H2
InChIKeyFZSUKGFWZOUEJF-UHFFFAOYSA-N
XLogP0.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.01
LogP ≤ 50.77
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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Frequently Asked Questions

What is the IUPAC name of 3-iodopropan-1-amine?
The IUPAC name of 3-iodopropan-1-amine (CID 21194665) is 3-iodopropan-1-amine.
What is the SMILES notation for 3-iodopropan-1-amine?
The canonical SMILES for 3-iodopropan-1-amine is NCCCI.
What is the InChIKey of 3-iodopropan-1-amine?
The InChIKey is FZSUKGFWZOUEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8IN/c4-2-1-3-5/h1-3,5H2.
What are the key properties of 3-iodopropan-1-amine?
3-iodopropan-1-amine has a molecular weight of 185.01 g/mol, XLogP of 0.77, 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 is sourced from PubChem (CID 21194665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).