1-iodo-1,4,7,10,13-pentazacyclopentadecane

C10H24IN5 — CID 163642472

IUPAC1-iodo-1,4,7,10,13-pentazacyclopentadecane
SMILESIN1CCNCCNCCNCCNCC1
InChIInChI=1S/C10H24IN5/c11-16-9-7-14-5-3-12-1-2-13-4-6-15-8-10-16/h12-15H,1-10H2
InChIKeyIFLJFKUVWJHDTQ-UHFFFAOYSA-N
MW341.24 g/mol
LogP-0.99
Rot. Bonds

About 1-iodo-1,4,7,10,13-pentazacyclopentadecane

1-iodo-1,4,7,10,13-pentazacyclopentadecane (PubChem CID 163642472) has the molecular formula C10H24IN5 and a molecular weight of 341.24 g/mol. Its IUPAC name is 1-iodo-1,4,7,10,13-pentazacyclopentadecane.

Molecular Properties

Compound Name1-iodo-1,4,7,10,13-pentazacyclopentadecane
PubChem CID163642472
Molecular FormulaC10H24IN5
Molecular Weight341.24 g/mol
Exact Mass341.11
IUPAC Name1-iodo-1,4,7,10,13-pentazacyclopentadecane
SMILESIN1CCNCCNCCNCCNCC1
InChIInChI=1S/C10H24IN5/c11-16-9-7-14-5-3-12-1-2-13-4-6-15-8-10-16/h12-15H,1-10H2
InChIKeyIFLJFKUVWJHDTQ-UHFFFAOYSA-N
XLogP-0.99
TPSA51.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-iodo-1,4,7,10,13-pentazacyclopentadecane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-iodo-1,4,7,10,13-pentazacyclopentadecane?
The IUPAC name of 1-iodo-1,4,7,10,13-pentazacyclopentadecane (CID 163642472) is 1-iodo-1,4,7,10,13-pentazacyclopentadecane.
What is the SMILES notation for 1-iodo-1,4,7,10,13-pentazacyclopentadecane?
The canonical SMILES for 1-iodo-1,4,7,10,13-pentazacyclopentadecane is IN1CCNCCNCCNCCNCC1.
What is the InChIKey of 1-iodo-1,4,7,10,13-pentazacyclopentadecane?
The InChIKey is IFLJFKUVWJHDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24IN5/c11-16-9-7-14-5-3-12-1-2-13-4-6-15-8-10-16/h12-15H,1-10H2.
What are the key properties of 1-iodo-1,4,7,10,13-pentazacyclopentadecane?
1-iodo-1,4,7,10,13-pentazacyclopentadecane has a molecular weight of 341.24 g/mol, XLogP of -0.99, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-1,4,7,10,13-pentazacyclopentadecane is sourced from PubChem (CID 163642472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).