1,4,7,10,13,16,19,22-octazacyclotetracosane

C16H40N8 — CID 6395032

IUPAC1,4,7,10,13,16,19,22-octazacyclotetracosane
SMILESC1CNCCNCCNCCNCCNCCNCCNCCN1
InChIInChI=1S/C16H40N8/c1-2-18-5-6-20-9-10-22-13-14-24-16-15-23-12-11-21-8-7-19-4-3-17-1/h17-24H,1-16H2
InChIKeyWOOFZEBAAKJMRJ-UHFFFAOYSA-N
MW344.55 g/mol
LogP-3.28
Rot. Bonds

About 1,4,7,10,13,16,19,22-octazacyclotetracosane

1,4,7,10,13,16,19,22-octazacyclotetracosane (PubChem CID 6395032) has the molecular formula C16H40N8 and a molecular weight of 344.55 g/mol. Its IUPAC name is 1,4,7,10,13,16,19,22-octazacyclotetracosane.

Molecular Properties

Compound Name1,4,7,10,13,16,19,22-octazacyclotetracosane
PubChem CID6395032
Molecular FormulaC16H40N8
Molecular Weight344.55 g/mol
Exact Mass344.34
IUPAC Name1,4,7,10,13,16,19,22-octazacyclotetracosane
SMILESC1CNCCNCCNCCNCCNCCNCCNCCN1
InChIInChI=1S/C16H40N8/c1-2-18-5-6-20-9-10-22-13-14-24-16-15-23-12-11-21-8-7-19-4-3-17-1/h17-24H,1-16H2
InChIKeyWOOFZEBAAKJMRJ-UHFFFAOYSA-N
XLogP-3.28
TPSA96.24 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.55
LogP ≤ 5-3.28
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,4,7,10,13,16,19,22-octazacyclotetracosane?
The IUPAC name of 1,4,7,10,13,16,19,22-octazacyclotetracosane (CID 6395032) is 1,4,7,10,13,16,19,22-octazacyclotetracosane.
What is the SMILES notation for 1,4,7,10,13,16,19,22-octazacyclotetracosane?
The canonical SMILES for 1,4,7,10,13,16,19,22-octazacyclotetracosane is C1CNCCNCCNCCNCCNCCNCCNCCN1.
What is the InChIKey of 1,4,7,10,13,16,19,22-octazacyclotetracosane?
The InChIKey is WOOFZEBAAKJMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H40N8/c1-2-18-5-6-20-9-10-22-13-14-24-16-15-23-12-11-21-8-7-19-4-3-17-1/h17-24H,1-16H2.
What are the key properties of 1,4,7,10,13,16,19,22-octazacyclotetracosane?
1,4,7,10,13,16,19,22-octazacyclotetracosane has a molecular weight of 344.55 g/mol, XLogP of -3.28, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10,13,16,19,22-octazacyclotetracosane is sourced from PubChem (CID 6395032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).