1,4-diiodo-1,4,8,12-tetrazacyclopentadecane

C11H24I2N4 — CID 143562163

IUPAC1,4-diiodo-1,4,8,12-tetrazacyclopentadecane
SMILESIN1CCCNCCCNCCCN(I)CC1
InChIInChI=1S/C11H24I2N4/c12-16-8-2-6-14-4-1-5-15-7-3-9-17(13)11-10-16/h14-15H,1-11H2
InChIKeyYVZWPLRBMVPGKM-UHFFFAOYSA-N
MW466.15 g/mol
LogP1.65
Rot. Bonds

About 1,4-diiodo-1,4,8,12-tetrazacyclopentadecane

1,4-diiodo-1,4,8,12-tetrazacyclopentadecane (PubChem CID 143562163) has the molecular formula C11H24I2N4 and a molecular weight of 466.15 g/mol. Its IUPAC name is 1,4-diiodo-1,4,8,12-tetrazacyclopentadecane.

Molecular Properties

Compound Name1,4-diiodo-1,4,8,12-tetrazacyclopentadecane
PubChem CID143562163
Molecular FormulaC11H24I2N4
Molecular Weight466.15 g/mol
Exact Mass466.01
IUPAC Name1,4-diiodo-1,4,8,12-tetrazacyclopentadecane
SMILESIN1CCCNCCCNCCCN(I)CC1
InChIInChI=1S/C11H24I2N4/c12-16-8-2-6-14-4-1-5-15-7-3-9-17(13)11-10-16/h14-15H,1-11H2
InChIKeyYVZWPLRBMVPGKM-UHFFFAOYSA-N
XLogP1.65
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.15
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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8-methyl-1,4,8,12-tetrazacyclopentadecane
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1,4,7,10-tetrazacyclotridecane
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1,4,8,11-tetrazacyclotetradecane;1,4,7-triazonane
CID 159801771
copper 1,4,8,11-tetrazacyclotetradecane
CID 11966228
cobalt;1,4,8,11-tetrazacyclotetradecane
CID 67843404
1,4-diazepane;hydrobromide
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1,4-diazepane;dihydrochloride
CID 23441047
1,5,9,14,18,22-hexazacyclohexacosane;hexahydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1,4-diiodo-1,4,8,12-tetrazacyclopentadecane?
The IUPAC name of 1,4-diiodo-1,4,8,12-tetrazacyclopentadecane (CID 143562163) is 1,4-diiodo-1,4,8,12-tetrazacyclopentadecane.
What is the SMILES notation for 1,4-diiodo-1,4,8,12-tetrazacyclopentadecane?
The canonical SMILES for 1,4-diiodo-1,4,8,12-tetrazacyclopentadecane is IN1CCCNCCCNCCCN(I)CC1.
What is the InChIKey of 1,4-diiodo-1,4,8,12-tetrazacyclopentadecane?
The InChIKey is YVZWPLRBMVPGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24I2N4/c12-16-8-2-6-14-4-1-5-15-7-3-9-17(13)11-10-16/h14-15H,1-11H2.
What are the key properties of 1,4-diiodo-1,4,8,12-tetrazacyclopentadecane?
1,4-diiodo-1,4,8,12-tetrazacyclopentadecane has a molecular weight of 466.15 g/mol, XLogP of 1.65, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diiodo-1,4,8,12-tetrazacyclopentadecane is sourced from PubChem (CID 143562163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).