2,2,3,3,4-pentaaminopentanoyl iodide

C5H14IN5O — CID 175811322

IUPAC2,2,3,3,4-pentaaminopentanoyl iodide
SMILESCC(N)C(N)(N)C(N)(N)C(=O)I
InChIInChI=1S/C5H14IN5O/c1-2(7)4(8,9)5(10,11)3(6)12/h2H,7-11H2,1H3
InChIKeyXOROWUFFBYDNFJ-UHFFFAOYSA-N
MW287.11 g/mol
LogP-2.48
Rot. Bonds3

About 2,2,3,3,4-pentaaminopentanoyl iodide

2,2,3,3,4-pentaaminopentanoyl iodide (PubChem CID 175811322) has the molecular formula C5H14IN5O and a molecular weight of 287.11 g/mol. Its IUPAC name is 2,2,3,3,4-pentaaminopentanoyl iodide.

Molecular Properties

Compound Name2,2,3,3,4-pentaaminopentanoyl iodide
PubChem CID175811322
Molecular FormulaC5H14IN5O
Molecular Weight287.11 g/mol
Exact Mass287.02
IUPAC Name2,2,3,3,4-pentaaminopentanoyl iodide
SMILESCC(N)C(N)(N)C(N)(N)C(=O)I
InChIInChI=1S/C5H14IN5O/c1-2(7)4(8,9)5(10,11)3(6)12/h2H,7-11H2,1H3
InChIKeyXOROWUFFBYDNFJ-UHFFFAOYSA-N
XLogP-2.48
TPSA147.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 5-2.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4-pentaaminopentanoyl iodide?
The IUPAC name of 2,2,3,3,4-pentaaminopentanoyl iodide (CID 175811322) is 2,2,3,3,4-pentaaminopentanoyl iodide.
What is the SMILES notation for 2,2,3,3,4-pentaaminopentanoyl iodide?
The canonical SMILES for 2,2,3,3,4-pentaaminopentanoyl iodide is CC(N)C(N)(N)C(N)(N)C(=O)I.
What is the InChIKey of 2,2,3,3,4-pentaaminopentanoyl iodide?
The InChIKey is XOROWUFFBYDNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14IN5O/c1-2(7)4(8,9)5(10,11)3(6)12/h2H,7-11H2,1H3.
What are the key properties of 2,2,3,3,4-pentaaminopentanoyl iodide?
2,2,3,3,4-pentaaminopentanoyl iodide has a molecular weight of 287.11 g/mol, XLogP of -2.48, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4-pentaaminopentanoyl iodide is sourced from PubChem (CID 175811322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).