3,4-diiodopentane-1,4-diamine

C5H12I2N2 — CID 88513709

IUPAC3,4-diiodopentane-1,4-diamine
SMILESCC(N)(I)C(I)CCN
InChIInChI=1S/C5H12I2N2/c1-5(7,9)4(6)2-3-8/h4H,2-3,8-9H2,1H3
InChIKeyUIDNYIXCOSOMNB-UHFFFAOYSA-N
MW353.97 g/mol
LogP1.25
Rot. Bonds3

About 3,4-diiodopentane-1,4-diamine

3,4-diiodopentane-1,4-diamine (PubChem CID 88513709) has the molecular formula C5H12I2N2 and a molecular weight of 353.97 g/mol. Its IUPAC name is 3,4-diiodopentane-1,4-diamine.

Molecular Properties

Compound Name3,4-diiodopentane-1,4-diamine
PubChem CID88513709
Molecular FormulaC5H12I2N2
Molecular Weight353.97 g/mol
Exact Mass353.91
IUPAC Name3,4-diiodopentane-1,4-diamine
SMILESCC(N)(I)C(I)CCN
InChIInChI=1S/C5H12I2N2/c1-5(7,9)4(6)2-3-8/h4H,2-3,8-9H2,1H3
InChIKeyUIDNYIXCOSOMNB-UHFFFAOYSA-N
XLogP1.25
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.97
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-diiodopentane-1,4-diamine?
The IUPAC name of 3,4-diiodopentane-1,4-diamine (CID 88513709) is 3,4-diiodopentane-1,4-diamine.
What is the SMILES notation for 3,4-diiodopentane-1,4-diamine?
The canonical SMILES for 3,4-diiodopentane-1,4-diamine is CC(N)(I)C(I)CCN.
What is the InChIKey of 3,4-diiodopentane-1,4-diamine?
The InChIKey is UIDNYIXCOSOMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12I2N2/c1-5(7,9)4(6)2-3-8/h4H,2-3,8-9H2,1H3.
What are the key properties of 3,4-diiodopentane-1,4-diamine?
3,4-diiodopentane-1,4-diamine has a molecular weight of 353.97 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diiodopentane-1,4-diamine is sourced from PubChem (CID 88513709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).