azane;N-iodoprop-2-yn-1-amine

C3H7IN2 — CID 22123346

IUPACazane;N-iodoprop-2-yn-1-amine
SMILESC#CCNI.N
InChIInChI=1S/C3H4IN.H3N/c1-2-3-5-4;/h1,5H,3H2;1H3
InChIKeyQICFBBJVHAMVIC-UHFFFAOYSA-N
MW198.01 g/mol
LogP0.72
Rot. Bonds1

About azane;N-iodoprop-2-yn-1-amine

azane;N-iodoprop-2-yn-1-amine (PubChem CID 22123346) has the molecular formula C3H7IN2 and a molecular weight of 198.01 g/mol. Its IUPAC name is azane;N-iodoprop-2-yn-1-amine.

Molecular Properties

Compound Nameazane;N-iodoprop-2-yn-1-amine
PubChem CID22123346
Molecular FormulaC3H7IN2
Molecular Weight198.01 g/mol
Exact Mass197.97
IUPAC Nameazane;N-iodoprop-2-yn-1-amine
SMILESC#CCNI.N
InChIInChI=1S/C3H4IN.H3N/c1-2-3-5-4;/h1,5H,3H2;1H3
InChIKeyQICFBBJVHAMVIC-UHFFFAOYSA-N
XLogP0.72
TPSA47.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.01
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;N-iodoprop-2-yn-1-amine?
The IUPAC name of azane;N-iodoprop-2-yn-1-amine (CID 22123346) is azane;N-iodoprop-2-yn-1-amine.
What is the SMILES notation for azane;N-iodoprop-2-yn-1-amine?
The canonical SMILES for azane;N-iodoprop-2-yn-1-amine is C#CCNI.N.
What is the InChIKey of azane;N-iodoprop-2-yn-1-amine?
The InChIKey is QICFBBJVHAMVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4IN.H3N/c1-2-3-5-4;/h1,5H,3H2;1H3.
What are the key properties of azane;N-iodoprop-2-yn-1-amine?
azane;N-iodoprop-2-yn-1-amine has a molecular weight of 198.01 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-iodoprop-2-yn-1-amine is sourced from PubChem (CID 22123346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).