1-(iodoamino)oxypropane

C3H8INO — CID 88548400

IUPAC1-(iodoamino)oxypropane
SMILESCCCONI
InChIInChI=1S/C3H8INO/c1-2-3-6-5-4/h5H,2-3H2,1H3
InChIKeyVQUFPAPDJABNHO-UHFFFAOYSA-N
MW201.01 g/mol
LogP1.27
Rot. Bonds3

About 1-(iodoamino)oxypropane

1-(iodoamino)oxypropane (PubChem CID 88548400) has the molecular formula C3H8INO and a molecular weight of 201.01 g/mol. Its IUPAC name is 1-(iodoamino)oxypropane.

Molecular Properties

Compound Name1-(iodoamino)oxypropane
PubChem CID88548400
Molecular FormulaC3H8INO
Molecular Weight201.01 g/mol
Exact Mass200.97
IUPAC Name1-(iodoamino)oxypropane
SMILESCCCONI
InChIInChI=1S/C3H8INO/c1-2-3-6-5-4/h5H,2-3H2,1H3
InChIKeyVQUFPAPDJABNHO-UHFFFAOYSA-N
XLogP1.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.01
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(iodoamino)oxypropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dipropoxyhydrazine
CID 151105951
1-(methylsulfanylamino)oxypropane
CID 130298845
N-propoxyprop-1-en-1-amine
CID 76504451
acetic acid;1-(propoxyamino)oxypropane
CID 173174006
1-(1,2,2-tripropoxyethenoxy)propane
CID 12561622
2-amino-1-propoxyguanidine
CID 130609787
1-pentoxy-N-propoxymethanamine
CID 138714447
2-(propoxyamino)guanidine
CID 118626334
methyl 2-oxo-2-(propoxyamino)acetate
CID 15007507
(2S)-1-(propoxyamino)butan-2-ol
CID 131167807
N-(propoxymethoxy)ethanamine
CID 173191825
N-propoxyaniline;hydrochloride
CID 158876543

Frequently Asked Questions

What is the IUPAC name of 1-(iodoamino)oxypropane?
The IUPAC name of 1-(iodoamino)oxypropane (CID 88548400) is 1-(iodoamino)oxypropane.
What is the SMILES notation for 1-(iodoamino)oxypropane?
The canonical SMILES for 1-(iodoamino)oxypropane is CCCONI.
What is the InChIKey of 1-(iodoamino)oxypropane?
The InChIKey is VQUFPAPDJABNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8INO/c1-2-3-6-5-4/h5H,2-3H2,1H3.
What are the key properties of 1-(iodoamino)oxypropane?
1-(iodoamino)oxypropane has a molecular weight of 201.01 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodoamino)oxypropane is sourced from PubChem (CID 88548400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).